MiMeDB: Showing metabocard for SAICAR (MMDBc0029510)

Microbial

Plant

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:25:15 UTC

Update Date

2024-04-30 19:36:36 UTC

Metabolite ID

MMDBc0029510

Metabolite Identification

Common Name

SAICAR

Description

SAICAR (or (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate) is a substrate for the multifunctional protein ADE2. SAICAR is an intermediate in purine metabolism. (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate is converted from 5-Amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate via phosphoribosylaminoimidazole-succinocarboxamide synthase [EC: 6.3.2.6] or SAICAR synthase. This enzyme catalyses the seventh step out of ten in the biosynthesis of purine nucleotides. (Wikipedia )

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309042000132D          

 30 31  0  0  0  0            999 V2000
10000.2775 9999.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.678610000.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.392610000.5447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.108710000.1320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.822710000.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.538710000.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.252710000.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.5387 9999.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1087 9999.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.8227 9998.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.3926 9998.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6786 9999.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1147 9998.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3238 9998.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.856610000.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.141610000.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.426410000.5447    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9995.838210001.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.707210000.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.012610001.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.237310000.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.569910000.1410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.8248 9999.3564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.6498 9999.3564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.904710000.1410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.295910000.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.628510000.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.883410001.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.708410001.3201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.963310000.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 26 30  2  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 30  2  1  0  0  0  0
  1 26  1  0  0  0  0
 24 13  1  6  0  0  0
 23 14  1  6  0  0  0
 22 15  1  1  0  0  0
 25 27  1  1  0  0  0
M  END

HMDB0000797
     RDKit          3D
SAICAR
 49 50  0  0  0  0  0  0  0  0999 V2000
   -0.0430    1.3881    0.5192 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    0.1791   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906   -0.1213   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    0.6980    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230    1.8242    0.7338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.2422    0.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3707    1.0610    0.3959 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1502    0.3863    1.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -0.9150    1.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8420   -1.9055    0.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9283   -1.0787    0.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231    1.2959   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310    0.8144   -1.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    2.0595   -0.6552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038   -1.3499   -0.7315 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -1.7731   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -0.8245   -0.4996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -0.9010   -0.5425 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3786    0.2821   -0.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157   -0.1353   -0.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6807    0.7926    0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9620    0.2830    0.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1092    1.2641    0.8920 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.3799    1.2901    0.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5177    2.8544    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5415    0.6922    2.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995   -1.4896    0.2976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2963   -2.4001   -0.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3225   -1.8454    0.4850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0757   -3.1764    0.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022    1.5361    1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5307    2.1330   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046   -0.6902   -0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699    2.0097    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729    1.0600    1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.2109    2.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1971   -0.9347   -0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3175    2.9823   -0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3038   -2.7234   -1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319   -1.2222   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686   -0.1369   -1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4985    0.7474    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6026    1.8405    0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3266    3.1860    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3270    0.0902    2.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3507   -1.5233    1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5702   -2.7880   -1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9380   -1.5517    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316   -3.7172    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  7 12  1  0
 12 13  2  0
 12 14  1  0
  3 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 20 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17  2  1  0
 29 18  1  0
  1 31  1  0
  1 32  1  0
  6 33  1  0
  7 34  1  1
  8 35  1  0
  8 36  1  0
 11 37  1  0
 14 38  1  0
 16 39  1  0
 18 40  1  6
 20 41  1  6
 21 42  1  0
 21 43  1  0
 25 44  1  0
 26 45  1  0
 27 46  1  1
 28 47  1  0
 29 48  1  1
 30 49  1  0
M  END


  Mrv1652309042000132D          

 30 31  0  0  0  0            999 V2000
10000.2775 9999.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.678610000.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.392610000.5447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.108710000.1320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.822710000.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.538710000.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.252710000.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.5387 9999.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1087 9999.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.8227 9998.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.3926 9998.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6786 9999.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1147 9998.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3238 9998.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.856610000.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.141610000.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.426410000.5447    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9995.838210001.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.707210000.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.012610001.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.237310000.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.569910000.1410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.8248 9999.3564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.6498 9999.3564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.904710000.1410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.295910000.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.628510000.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.883410001.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.708410001.3201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.963310000.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 26 30  2  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 30  2  1  0  0  0  0
  1 26  1  0  0  0  0
 24 13  1  6  0  0  0
 23 14  1  6  0  0  0
 22 15  1  1  0  0  0
 25 27  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029510

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1

> <INCHI_KEY>
NAQGHJTUZRHGAC-ZZZDFHIKSA-N

> <FORMULA>
C13H19N4O12P

> <MOLECULAR_WEIGHT>
454.2833

> <EXACT_MASS>
454.073708604

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
38.50191613972262

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-({5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}formamido)butanedioic acid

> <ALOGPS_LOGP>
-1.82

> <JCHEM_LOGP>
-4.825361675843606

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
2.997173380015799

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2173138245476895

> <JCHEM_PKA_STRONGEST_BASIC>
4.543300932982183

> <JCHEM_POLAR_SURFACE_AREA>
263.98999999999995

> <JCHEM_REFRACTIVITY>
90.65269999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
saicar

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000797
     RDKit          3D
SAICAR
 49 50  0  0  0  0  0  0  0  0999 V2000
   -0.0430    1.3881    0.5192 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    0.1791   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906   -0.1213   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    0.6980    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230    1.8242    0.7338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.2422    0.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3707    1.0610    0.3959 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1502    0.3863    1.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -0.9150    1.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8420   -1.9055    0.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9283   -1.0787    0.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231    1.2959   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310    0.8144   -1.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    2.0595   -0.6552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038   -1.3499   -0.7315 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -1.7731   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -0.8245   -0.4996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -0.9010   -0.5425 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3786    0.2821   -0.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157   -0.1353   -0.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6807    0.7926    0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9620    0.2830    0.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1092    1.2641    0.8920 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.3799    1.2901    0.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5177    2.8544    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5415    0.6922    2.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995   -1.4896    0.2976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2963   -2.4001   -0.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3225   -1.8454    0.4850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0757   -3.1764    0.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022    1.5361    1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5307    2.1330   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046   -0.6902   -0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699    2.0097    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729    1.0600    1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.2109    2.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1971   -0.9347   -0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3175    2.9823   -0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3038   -2.7234   -1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319   -1.2222   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686   -0.1369   -1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4985    0.7474    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6026    1.8405    0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3266    3.1860    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3270    0.0902    2.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3507   -1.5233    1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5702   -2.7880   -1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9380   -1.5517    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316   -3.7172    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  7 12  1  0
 12 13  2  0
 12 14  1  0
  3 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 20 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17  2  1  0
 29 18  1  0
  1 31  1  0
  1 32  1  0
  6 33  1  0
  7 34  1  1
  8 35  1  0
  8 36  1  0
 11 37  1  0
 14 38  1  0
 16 39  1  0
 18 40  1  6
 20 41  1  6
 21 42  1  0
 21 43  1  0
 25 44  1  0
 26 45  1  0
 27 46  1  1
 28 47  1  0
 29 48  1  1
 30 49  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  N   UNK     0    8667.1858665.200   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0    8669.8008666.913   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0    8671.1338667.683   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0    8672.4708666.913   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8673.8028667.683   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8675.1398666.913   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8676.4728667.683   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8675.1398665.372   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8672.4708665.372   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    8673.8028664.599   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8671.1338664.599   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8669.8008665.372   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8665.0148664.209   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8661.6718664.225   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    8660.7998667.683   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    8659.4648666.913   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0    8658.1298667.683   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0    8658.8988669.020   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8656.7878666.909   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0    8657.3578669.020   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0    8663.3768667.835   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0    8662.1308666.930   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8662.6068665.465   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8664.1468665.465   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8664.6228666.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8667.2198666.761   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0    8665.9738667.666   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0    8666.4498669.131   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0    8667.9898669.131   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0    8668.4658667.666   0.000  0.00  0.00           C+0
CONECT    1   26                                                            
CONECT    2    3   12   30                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    4   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    2                                                            
CONECT   13   24                                                            
CONECT   14   23                                                            
CONECT   15   16   22                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
CONECT   21   22   25                                                       
CONECT   22   23   21   15                                                  
CONECT   23   22   24   14                                                  
CONECT   24   23   25   13                                                  
CONECT   25   24   21   27                                                  
CONECT   26   30   27    1                                                  
CONECT   27   26   28   25                                                  
CONECT   28   29   27                                                       
CONECT   29   28   30                                                       
CONECT   30   26   29    2                                                  
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END

COMPND    HMDB0000797
HETATM    1  N1  UNL     1      -0.043   1.388   0.519  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.445   0.179  -0.034  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.791  -0.121  -0.166  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.936   0.698   0.217  1.00  0.00           C  
HETATM    5  O1  UNL     1       2.723   1.824   0.734  1.00  0.00           O  
HETATM    6  N2  UNL     1       4.249   0.242   0.014  1.00  0.00           N  
HETATM    7  C4  UNL     1       5.371   1.061   0.396  1.00  0.00           C  
HETATM    8  C5  UNL     1       6.150   0.386   1.530  1.00  0.00           C  
HETATM    9  C6  UNL     1       6.615  -0.915   1.022  1.00  0.00           C  
HETATM   10  O2  UNL     1       5.842  -1.906   0.990  1.00  0.00           O  
HETATM   11  O3  UNL     1       7.928  -1.079   0.563  1.00  0.00           O  
HETATM   12  C7  UNL     1       6.223   1.296  -0.772  1.00  0.00           C  
HETATM   13  O4  UNL     1       5.931   0.814  -1.891  1.00  0.00           O  
HETATM   14  O5  UNL     1       7.373   2.059  -0.655  1.00  0.00           O  
HETATM   15  N3  UNL     1       1.804  -1.350  -0.731  1.00  0.00           N  
HETATM   16  C8  UNL     1       0.539  -1.773  -0.932  1.00  0.00           C  
HETATM   17  N4  UNL     1      -0.308  -0.825  -0.500  1.00  0.00           N  
HETATM   18  C9  UNL     1      -1.724  -0.901  -0.542  1.00  0.00           C  
HETATM   19  O6  UNL     1      -2.379   0.282  -0.218  1.00  0.00           O  
HETATM   20  C10 UNL     1      -3.716  -0.135  -0.337  1.00  0.00           C  
HETATM   21  C11 UNL     1      -4.681   0.793   0.345  1.00  0.00           C  
HETATM   22  O7  UNL     1      -5.962   0.283   0.160  1.00  0.00           O  
HETATM   23  P1  UNL     1      -7.109   1.264   0.892  1.00  0.00           P  
HETATM   24  O8  UNL     1      -8.380   1.290   0.049  1.00  0.00           O  
HETATM   25  O9  UNL     1      -6.518   2.854   1.017  1.00  0.00           O  
HETATM   26  O10 UNL     1      -7.541   0.692   2.422  1.00  0.00           O  
HETATM   27  C12 UNL     1      -3.800  -1.490   0.298  1.00  0.00           C  
HETATM   28  O11 UNL     1      -4.296  -2.400  -0.649  1.00  0.00           O  
HETATM   29  C13 UNL     1      -2.323  -1.845   0.485  1.00  0.00           C  
HETATM   30  O12 UNL     1      -2.076  -3.176   0.159  1.00  0.00           O  
HETATM   31  H1  UNL     1       0.102   1.536   1.545  1.00  0.00           H  
HETATM   32  H2  UNL     1      -0.531   2.133  -0.013  1.00  0.00           H  
HETATM   33  H3  UNL     1       4.405  -0.690  -0.414  1.00  0.00           H  
HETATM   34  H4  UNL     1       4.970   2.010   0.824  1.00  0.00           H  
HETATM   35  H5  UNL     1       6.973   1.060   1.821  1.00  0.00           H  
HETATM   36  H6  UNL     1       5.445   0.211   2.371  1.00  0.00           H  
HETATM   37  H7  UNL     1       8.197  -0.935  -0.399  1.00  0.00           H  
HETATM   38  H8  UNL     1       7.317   2.982  -0.255  1.00  0.00           H  
HETATM   39  H9  UNL     1       0.304  -2.723  -1.370  1.00  0.00           H  
HETATM   40  H10 UNL     1      -2.132  -1.222  -1.528  1.00  0.00           H  
HETATM   41  H11 UNL     1      -3.969  -0.137  -1.424  1.00  0.00           H  
HETATM   42  H12 UNL     1      -4.499   0.747   1.458  1.00  0.00           H  
HETATM   43  H13 UNL     1      -4.603   1.841   0.009  1.00  0.00           H  
HETATM   44  H14 UNL     1      -6.327   3.186   0.105  1.00  0.00           H  
HETATM   45  H15 UNL     1      -8.327   0.090   2.321  1.00  0.00           H  
HETATM   46  H16 UNL     1      -4.351  -1.523   1.244  1.00  0.00           H  
HETATM   47  H17 UNL     1      -3.570  -2.788  -1.187  1.00  0.00           H  
HETATM   48  H18 UNL     1      -1.938  -1.552   1.463  1.00  0.00           H  
HETATM   49  H19 UNL     1      -2.532  -3.717   0.849  1.00  0.00           H  
CONECT    1    2   31   32
CONECT    2    3    3   17
CONECT    3    4   15
CONECT    4    5    5    6
CONECT    6    7   33
CONECT    7    8   12   34
CONECT    8    9   35   36
CONECT    9   10   10   11
CONECT   11   37
CONECT   12   13   13   14
CONECT   14   38
CONECT   15   16   16
CONECT   16   17   39
CONECT   17   18
CONECT   18   19   29   40
CONECT   19   20
CONECT   20   21   27   41
CONECT   21   22   42   43
CONECT   22   23
CONECT   23   24   24   25   26
CONECT   25   44
CONECT   26   45
CONECT   27   28   29   46
CONECT   28   47
CONECT   29   30   48
CONECT   30   49
END

HMDB0000797
     RDKit          3D
SAICAR
 49 50  0  0  0  0  0  0  0  0999 V2000
   -0.0430    1.3881    0.5192 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    0.1791   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906   -0.1213   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    0.6980    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230    1.8242    0.7338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.2422    0.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3707    1.0610    0.3959 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1502    0.3863    1.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -0.9150    1.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8420   -1.9055    0.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9283   -1.0787    0.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231    1.2959   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310    0.8144   -1.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    2.0595   -0.6552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038   -1.3499   -0.7315 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -1.7731   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -0.8245   -0.4996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -0.9010   -0.5425 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3786    0.2821   -0.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157   -0.1353   -0.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6807    0.7926    0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9620    0.2830    0.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1092    1.2641    0.8920 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.3799    1.2901    0.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5177    2.8544    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5415    0.6922    2.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995   -1.4896    0.2976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2963   -2.4001   -0.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3225   -1.8454    0.4850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0757   -3.1764    0.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022    1.5361    1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5307    2.1330   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046   -0.6902   -0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699    2.0097    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729    1.0600    1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.2109    2.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1971   -0.9347   -0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3175    2.9823   -0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3038   -2.7234   -1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319   -1.2222   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686   -0.1369   -1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4985    0.7474    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6026    1.8405    0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3266    3.1860    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3270    0.0902    2.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3507   -1.5233    1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5702   -2.7880   -1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9380   -1.5517    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316   -3.7172    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  7 12  1  0
 12 13  2  0
 12 14  1  0
  3 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 20 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17  2  1  0
 29 18  1  0
  1 31  1  0
  1 32  1  0
  6 33  1  0
  7 34  1  1
  8 35  1  0
  8 36  1  0
 11 37  1  0
 14 38  1  0
 16 39  1  0
 18 40  1  6
 20 41  1  6
 21 42  1  0
 21 43  1  0
 25 44  1  0
 26 45  1  0
 27 46  1  1
 28 47  1  0
 29 48  1  1
 30 49  1  0
M  END

Synonyms

Value	Source
(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid	ChEBI
(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate	ChEBI
1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole	ChEBI
1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole	ChEBI
5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole	ChEBI
Succino-aicar	ChEBI
Succinyl-5-aminoimidazole-4-carboxamide-1-ribose-5-phosphate	ChEBI
Succinylaminoimidazolecarboxamide ribose-5'-phosphate	ChEBI
(2S)-2-[5-Amino-1-(5-phospho-b-D-ribosyl)imidazole-4-carboxamido]succinate	Generator
(2S)-2-[5-Amino-1-(5-phospho-b-D-ribosyl)imidazole-4-carboxamido]succinic acid	Generator
(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinate	Generator
(2S)-2-[5-Amino-1-(5-phospho-β-D-ribosyl)imidazole-4-carboxamido]succinate	Generator
(2S)-2-[5-Amino-1-(5-phospho-β-D-ribosyl)imidazole-4-carboxamido]succinic acid	Generator
(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinic acid	Generator
Succinyl-5-aminoimidazole-4-carboxamide-1-ribose-5-phosphoric acid	Generator
Succinylaminoimidazolecarboxamide ribose-5'-phosphoric acid	Generator
(S)-2-(5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate	HMDB
(S)-2-(5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinic acid	HMDB
(S)-2-(5-Amino-1-(5-phospho-delta-ribosyl)imidazole-4-carboxamido)succinate	HMDB
(S)-2-(5-Amino-1-(5-phospho-delta-ribosyl)imidazole-4-carboxamido)succinic acid	HMDB
(S)-2-[5-Amino-1-(5-phospho-delta-ribosyl)imidazole-4-carboxamido]succinate	HMDB
1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole' 1-(5'-phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole	HMDB
5'-Phosphoribosyl-4-(N-succinocarbozamide)-5-aminoimidazole	HMDB
5-Amino-4-imidazole-N-succinocarboxamide ribonucleotide	HMDB
L-N-[(5-Amino-1-b-D-ribofuranosylimidazol-4-yl)carbonyl]-5'-(dihydrogen phosphate)	HMDB
L-N-[(5-Amino-1-beta-delta-ribofuranosylimidazol-4-yl)carbonyl]-5'-(dihydrogen phosphate)	HMDB
N-(5-Amino-1-ribofuranosylimidazol-4-ylcarbonyl)aspartic acid 5'-phosphate	HMDB
N-[5-Amino-1-(5'-phosphoribofuranosyl)-4-imidazolecarbonyl]aspartate	HMDB
N-[5-Amino-1-(5'-phosphoribofuranosyl)-4-imidazolecarbonyl]aspartic acid	HMDB
Phosphoribosylaminoimidazolesuccinocarboxamide	HMDB
N-(5-Amino-1-beta-D-ribofuranosylimidazole-4-carbonyl)-L-aspartic acid 5'-phosphate	HMDB
5'-Phosphoribosyl-4-(N-succinylcarboxamide)-5-aminoimidazole	HMDB
SAICAR, (D)-isomer	HMDB
SAICAribotide	HMDB
Succinylaminoimidazole carboxamide ribotide	HMDB
SAICA ribotide	HMDB
Succinylaminoimidazolecarboxamide ribose-5’-phosphate	HMDB

Molecular Formula

C₁₃H₁₉N₄O₁₂P

Average Mass

454.2833

Monoisotopic Mass

454.073708604

IUPAC Name

(2S)-2-({5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}formamido)butanedioic acid

Traditional Name

saicar

CAS Registry Number

3031-95-6

SMILES

NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1

InChI Key

NAQGHJTUZRHGAC-ZZZDFHIKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Imidazole ribonucleosides and ribonucleotides

Sub Class

1-ribosyl-imidazolecarboxamides

Direct Parent

1-ribosyl-imidazolecarboxamides

Alternative Parents

Substituents

1-ribosyl-imidazolecarboxamide
Pentose-5-phosphate
Pentose phosphate
Aspartic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Alpha-amino acid or derivatives
Pentose monosaccharide
2-heteroaryl carboxamide
Imidazolyl carboxylic acid derivative
Imidazole-4-carbonyl group
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Alkyl phosphate
Dicarboxylic acid or derivatives
Phosphoric acid ester
Aminoimidazole
Monosaccharide
Imidazole
Heteroaromatic compound
Azole
Vinylogous amide
Tetrahydrofuran
Amino acid or derivatives
Carboxamide group
Amino acid
1,2-diol
Secondary carboxylic acid amide
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Carboxylic acid
Alcohol
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

1-(phosphoribosyl)imidazolecarboxamide (CHEBI:18319 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	1.73 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-4.8	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	4.54	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	263.99 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	90.65 m³·mol⁻¹	ChemAxon
Polarizability	38.5 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-05n1-9732500000-f3a7f13b1dee5f81c7a8	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-05ot-9600116000-74a62efcb34072bbe352	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-055o-1592600000-05db249dfb0f14143f9f	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-3950000000-6ebf6a64483dd1392782	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001l-5940000000-e218e278f5195eb90341	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0ug3-6381900000-4fec69ff813fe652ea7d	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004j-9350000000-e4e387627fbca1ef1201	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-95f6153e96335a5d2b32	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0f79-2012900000-f38ec5261c12799bc354	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9022000000-a24939a2980b6834f5bc	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9110000000-7f66eadbb3c3527bbc8c	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0024900000-6f3c27fcd647c50d79d0	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0096-1293000000-d46017274b02e79e4277	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-3891000000-ed7da10b4a914197adb3	2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	711.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	497.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	68.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	274.4
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	355.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	255.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	437.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	1027.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	960.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	153.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	563.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	170.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	27.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	633.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	926.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	77.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	327.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	773.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	575.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	SAICAR_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O	standard non polar	2025-10-23	2641.82
Gas Chromatography	SAICAR_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N	standard non polar	2025-10-23	2489.1
Gas Chromatography	SAICAR_TMS_3	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2181.53
Gas Chromatography	SAICAR_TMS_4	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	standard non polar	2025-10-23	2506.72
Gas Chromatography	SAICAR_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	2390.89
Gas Chromatography	SAICAR_TMS_6	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2555.08
Gas Chromatography	SAICAR_TMS_7	C[Si](C)(C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1561.86
Gas Chromatography	SAICAR_TMS_8	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2653.3
Gas Chromatography	SAICAR_TMS_9	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard non polar	2025-10-23	1655.32
Gas Chromatography	SAICAR_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	750.693
Gas Chromatography	SAICAR_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O	standard non polar	2025-10-23	1815.41
Gas Chromatography	SAICAR_TMS_12	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2228.5
Gas Chromatography	SAICAR_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O	standard non polar	2025-10-23	2247.42
Gas Chromatography	SAICAR_TMS_14	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	2118.27
Gas Chromatography	SAICAR_TMS_15	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	2873.01
Gas Chromatography	SAICAR_TMS_16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N	standard non polar	2025-10-23	1976.17
Gas Chromatography	SAICAR_TMS_17	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1967.68
Gas Chromatography	SAICAR_TMS_18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N	standard non polar	2025-10-23	1755.15
Gas Chromatography	SAICAR_TMS_19	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1416.67
Gas Chromatography	SAICAR_TMS_20	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	1819.16
Gas Chromatography	SAICAR_TMS_21	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1184.03
Gas Chromatography	SAICAR_TMS_22	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	3566.23
Gas Chromatography	SAICAR_TMS_23	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard non polar	2025-10-23	2275.39
Gas Chromatography	SAICAR_TMS_24	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1587.98
Gas Chromatography	SAICAR_TMS_25	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2045.74
Gas Chromatography	SAICAR_TMS_26	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	2149.43
Gas Chromatography	SAICAR_TMS_27	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2369.15
Gas Chromatography	SAICAR_TMS_28	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1516.21
Gas Chromatography	SAICAR_TMS_29	C[Si](C)(C)N(C1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard non polar	2025-10-23	1598.48
Gas Chromatography	SAICAR_TMS_30	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1878.64
Gas Chromatography	SAICAR_TMS_31	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	1709.88
Gas Chromatography	SAICAR_TMS_32	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2170.07
Gas Chromatography	SAICAR_TMS_33	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2312.23
Gas Chromatography	SAICAR_TMS_34	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2976.88
Gas Chromatography	SAICAR_TMS_35	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1741.51
Gas Chromatography	SAICAR_TMS_36	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	1079.26
Gas Chromatography	SAICAR_TMS_37	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard non polar	2025-10-23	2125.94
Gas Chromatography	SAICAR_TMS_38	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2699.81
Gas Chromatography	SAICAR_TMS_39	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2086.41
Gas Chromatography	SAICAR_TMS_40	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2624.93
Gas Chromatography	SAICAR_TMS_41	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2293.05
Gas Chromatography	SAICAR_TMS_42	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1827.61
Gas Chromatography	SAICAR_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O	standard non polar	2025-10-23	2379.05
Gas Chromatography	SAICAR_TMS_44	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2210.77
Gas Chromatography	SAICAR_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O	standard non polar	2025-10-23	2309.58
Gas Chromatography	SAICAR_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2330.14
Gas Chromatography	SAICAR_TMS_47	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2289.52
Gas Chromatography	SAICAR_TMS_48	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1872.88
Gas Chromatography	SAICAR_TMS_49	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	1619.8
Gas Chromatography	SAICAR_TMS_50	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2664.53
Gas Chromatography	SAICAR_TMS_51	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1612.35
Gas Chromatography	SAICAR_TMS_52	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	2039.06
Gas Chromatography	SAICAR_TMS_53	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2157.34
Gas Chromatography	SAICAR_TMS_54	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1386.71
Gas Chromatography	SAICAR_TMS_55	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N	standard non polar	2025-10-23	1864.66
Gas Chromatography	SAICAR_TMS_56	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1578.8
Gas Chromatography	SAICAR_TMS_57	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N	standard non polar	2025-10-23	1668.43
Gas Chromatography	SAICAR_TMS_58	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2097.6
Gas Chromatography	SAICAR_TMS_59	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3214.98
Gas Chromatography	SAICAR_TMS_60	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1900.41
Gas Chromatography	SAICAR_TMS_61	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2649.19
Gas Chromatography	SAICAR_TMS_62	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1435.74
Gas Chromatography	SAICAR_TMS_63	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	1781.66
Gas Chromatography	SAICAR_TMS_64	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2384.25
Gas Chromatography	SAICAR_TMS_65	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2753.97
Gas Chromatography	SAICAR_TMS_66	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2694.97
Gas Chromatography	SAICAR_TMS_67	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1553.9
Gas Chromatography	SAICAR_TMS_68	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard non polar	2025-10-23	2299.87
Gas Chromatography	SAICAR_TMS_69	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1024.58
Gas Chromatography	SAICAR_TMS_70	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1081.54
Gas Chromatography	SAICAR_TMS_71	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	standard non polar	2025-10-23	1491.65
Gas Chromatography	SAICAR_TMS_72	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1912.52
Gas Chromatography	SAICAR_TMS_73	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	437.757
Gas Chromatography	SAICAR_TMS_74	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	2022.9
Gas Chromatography	SAICAR_TMS_75	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1217.72
Gas Chromatography	SAICAR_TMS_76	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1268.6
Gas Chromatography	SAICAR_TMS_77	C[Si](C)(C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1351.17
Gas Chromatography	SAICAR_TMS_78	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1059.4
Gas Chromatography	SAICAR_TMS_79	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	2531.06
Gas Chromatography	SAICAR_TMS_80	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2076.11
Gas Chromatography	SAICAR_TMS_81	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2380.49
Gas Chromatography	SAICAR_TMS_82	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	3200.24
Gas Chromatography	SAICAR_TMS_83	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1030.26
Gas Chromatography	SAICAR_TMS_84	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1746.18
Gas Chromatography	SAICAR_TMS_85	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2176.95
Gas Chromatography	SAICAR_TMS_86	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1459.26
Gas Chromatography	SAICAR_TMS_87	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1359.78
Gas Chromatography	SAICAR_TMS_88	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2459.7
Gas Chromatography	SAICAR_TMS_89	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1933.33
Gas Chromatography	SAICAR_TMS_90	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	2239.98
Gas Chromatography	SAICAR_TMS_91	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2089.56
Gas Chromatography	SAICAR_TMS_92	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2692.79
Gas Chromatography	SAICAR_TMS_93	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard non polar	2025-10-23	2670.51
Gas Chromatography	SAICAR_TMS_94	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1861.23
Gas Chromatography	SAICAR_TMS_95	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2467.09
Gas Chromatography	SAICAR_TMS_96	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard non polar	2025-10-23	859.541
Gas Chromatography	SAICAR_TMS_97	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1820.81
Gas Chromatography	SAICAR_TMS_98	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1771.84
Gas Chromatography	SAICAR_TMS_99	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2010.52
Gas Chromatography	SAICAR_TMS_100	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3184.4
Gas Chromatography	SAICAR_TMS_101	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2738.79
Gas Chromatography	SAICAR_TMS_102	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2537.43
Gas Chromatography	SAICAR_TMS_103	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1595.62
Gas Chromatography	SAICAR_TMS_104	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O	standard non polar	2025-10-23	2492.61
Gas Chromatography	SAICAR_TMS_105	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1939.85
Gas Chromatography	SAICAR_TMS_106	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1665.26
Gas Chromatography	SAICAR_TMS_107	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1349.55
Gas Chromatography	SAICAR_TMS_108	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1363.03
Gas Chromatography	SAICAR_TMS_109	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1493.48
Gas Chromatography	SAICAR_TMS_110	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1054.72
Gas Chromatography	SAICAR_TMS_111	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	1297.53
Gas Chromatography	SAICAR_TMS_112	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1671.12
Gas Chromatography	SAICAR_TMS_113	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2628.47
Gas Chromatography	SAICAR_TMS_114	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	1881.13
Gas Chromatography	SAICAR_TMS_115	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1732.45
Gas Chromatography	SAICAR_TMS_116	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	1425.85
Gas Chromatography	SAICAR_TMS_117	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2499.33
Gas Chromatography	SAICAR_TMS_118	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1833.87
Gas Chromatography	SAICAR_TMS_119	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	1667.93
Gas Chromatography	SAICAR_TMS_120	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2547.56
Gas Chromatography	SAICAR_TMS_121	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3390.57
Gas Chromatography	SAICAR_TMS_122	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N	standard non polar	2025-10-23	1117.77
Gas Chromatography	SAICAR_TMS_123	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2483.49
Gas Chromatography	SAICAR_TMS_124	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2074.01
Gas Chromatography	SAICAR_TMS_125	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1399.69
Gas Chromatography	SAICAR_TMS_126	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1636.8
Gas Chromatography	SAICAR_TMS_127	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1244.46
Gas Chromatography	SAICAR_TMS_128	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2085.08
Gas Chromatography	SAICAR_TMS_129	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	3380.87
Gas Chromatography	SAICAR_TMS_130	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1838.88
Gas Chromatography	SAICAR_TMS_131	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2072.86
Gas Chromatography	SAICAR_TMS_132	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2276.45
Gas Chromatography	SAICAR_TMS_133	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2054.91
Gas Chromatography	SAICAR_TMS_134	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2332.78
Gas Chromatography	SAICAR_TMS_135	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2171.24
Gas Chromatography	SAICAR_TMS_136	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	842.024
Gas Chromatography	SAICAR_TMS_137	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2718.88
Gas Chromatography	SAICAR_TMS_138	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard non polar	2025-10-23	1410.61
Gas Chromatography	SAICAR_TMS_139	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2349.5
Gas Chromatography	SAICAR_TMS_140	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	117.076
Gas Chromatography	SAICAR_TMS_141	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	2103.38
Gas Chromatography	SAICAR_TMS_142	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	734.326
Gas Chromatography	SAICAR_TMS_143	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1945.52
Gas Chromatography	SAICAR_TMS_144	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2809.82
Gas Chromatography	SAICAR_TMS_145	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2284.06
Gas Chromatography	SAICAR_TMS_146	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1879.05
Gas Chromatography	SAICAR_TMS_147	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	833.407
Gas Chromatography	SAICAR_TMS_148	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1347.06
Gas Chromatography	SAICAR_TMS_149	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2001.33
Gas Chromatography	SAICAR_TMS_150	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	1503.69
Gas Chromatography	SAICAR_TMS_151	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1543.5
Gas Chromatography	SAICAR_TMS_152	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	969.602
Gas Chromatography	SAICAR_TMS_153	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2145.02
Gas Chromatography	SAICAR_TMS_154	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2093.18
Gas Chromatography	SAICAR_TMS_155	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2541.55
Gas Chromatography	SAICAR_TMS_156	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	54.6559
Gas Chromatography	SAICAR_TMS_157	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2202.57
Gas Chromatography	SAICAR_TMS_158	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1873.6
Gas Chromatography	SAICAR_TMS_159	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	2412.94
Gas Chromatography	SAICAR_TMS_160	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2103.24
Gas Chromatography	SAICAR_TMS_161	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2824.83
Gas Chromatography	SAICAR_TMS_162	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	2289.04
Gas Chromatography	SAICAR_TMS_163	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1434.88
Gas Chromatography	SAICAR_TMS_164	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	670.651
Gas Chromatography	SAICAR_TMS_165	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	1987.89
Gas Chromatography	SAICAR_TMS_166	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2875.52
Gas Chromatography	SAICAR_TMS_167	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2598.35
Gas Chromatography	SAICAR_TMS_168	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1558.29
Gas Chromatography	SAICAR_TMS_169	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard non polar	2025-10-23	2237.54
Gas Chromatography	SAICAR_TMS_170	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1030.99
Gas Chromatography	SAICAR_TMS_171	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1003.71
Gas Chromatography	SAICAR_TMS_172	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1224.58
Gas Chromatography	SAICAR_TMS_173	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	636.319
Gas Chromatography	SAICAR_TMS_174	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3561.31
Gas Chromatography	SAICAR_TMS_175	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2588.17
Gas Chromatography	SAICAR_TMS_176	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2723.24
Gas Chromatography	SAICAR_TMS_177	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2523.71
Gas Chromatography	SAICAR_TMS_178	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1598.47
Gas Chromatography	SAICAR_TMS_179	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1732.78
Gas Chromatography	SAICAR_TMS_180	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	890.398
Gas Chromatography	SAICAR_TMS_181	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2035.16
Gas Chromatography	SAICAR_TMS_182	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1509.49
Gas Chromatography	SAICAR_TMS_183	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2107.79
Gas Chromatography	SAICAR_TMS_184	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3231.69
Gas Chromatography	SAICAR_TMS_185	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1861.54
Gas Chromatography	SAICAR_TMS_186	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2288.02
Gas Chromatography	SAICAR_TMS_187	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	2714.17
Gas Chromatography	SAICAR_TMS_188	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2417.57
Gas Chromatography	SAICAR_TMS_189	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1732.12
Gas Chromatography	SAICAR_TMS_190	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1374.43
Gas Chromatography	SAICAR_TMS_191	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	165.59
Gas Chromatography	SAICAR_TMS_192	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	1569.11
Gas Chromatography	SAICAR_TMS_193	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	735.283
Gas Chromatography	SAICAR_TMS_194	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1287.5
Gas Chromatography	SAICAR_TMS_195	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	839.643
Gas Chromatography	SAICAR_TMS_196	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3069.92
Gas Chromatography	SAICAR_TMS_197	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	645.695
Gas Chromatography	SAICAR_TMS_198	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2344.4
Gas Chromatography	SAICAR_TMS_199	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1774.03
Gas Chromatography	SAICAR_TMS_200	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2926.69
Gas Chromatography	SAICAR_TMS_201	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	3359.0
Gas Chromatography	SAICAR_TMS_202	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1518.59
Gas Chromatography	SAICAR_TMS_203	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	1706.86
Gas Chromatography	SAICAR_TMS_204	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	226.946
Gas Chromatography	SAICAR_TMS_205	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2794.45
Gas Chromatography	SAICAR_TMS_206	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard non polar	2025-10-23	1546.65
Gas Chromatography	SAICAR_TMS_207	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2512.51
Gas Chromatography	SAICAR_TMS_208	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	3102.04
Gas Chromatography	SAICAR_TMS_209	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1669.53
Gas Chromatography	SAICAR_TMS_210	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2135.45
Gas Chromatography	SAICAR_TMS_211	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2662.04
Gas Chromatography	SAICAR_TMS_212	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1380.65
Gas Chromatography	SAICAR_TMS_213	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1122.83
Gas Chromatography	SAICAR_TMS_214	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2236.87
Gas Chromatography	SAICAR_TMS_215	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2041.27
Gas Chromatography	SAICAR_TMS_216	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2903.39
Gas Chromatography	SAICAR_TMS_217	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	1247.73
Gas Chromatography	SAICAR_TMS_218	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	691.97
Gas Chromatography	SAICAR_TMS_219	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2660.26
Gas Chromatography	SAICAR_TMS_220	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1975.96
Gas Chromatography	SAICAR_TMS_221	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2907.85
Gas Chromatography	SAICAR_TMS_222	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2629.8
Gas Chromatography	SAICAR_TMS_223	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	3005.31
Gas Chromatography	SAICAR_TMS_224	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2551.8
Gas Chromatography	SAICAR_TMS_225	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard non polar	2025-10-23	755.701
Gas Chromatography	SAICAR_TMS_226	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2126.67
Gas Chromatography	SAICAR_TMS_227	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2035.11
Gas Chromatography	SAICAR_TMS_228	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	332.38
Gas Chromatography	SAICAR_TMS_229	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1813.12
Gas Chromatography	SAICAR_TMS_230	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	1871.51
Gas Chromatography	SAICAR_TMS_231	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1746.16
Gas Chromatography	SAICAR_TMS_232	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	3463.57
Gas Chromatography	SAICAR_TMS_233	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard non polar	2025-10-23	2620.96
Gas Chromatography	SAICAR_TMS_234	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	3157.66
Gas Chromatography	SAICAR_TMS_235	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1328.48
Gas Chromatography	SAICAR_TMS_236	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2527.59
Gas Chromatography	SAICAR_TMS_237	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3055.7
Gas Chromatography	SAICAR_TMS_238	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2824.29
Gas Chromatography	SAICAR_TMS_239	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	3494.96
Gas Chromatography	SAICAR_TMS_240	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2108.99
Gas Chromatography	SAICAR_TMS_241	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1317.61
Gas Chromatography	SAICAR_TMS_242	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2305.85
Gas Chromatography	SAICAR_TMS_243	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2001.83
Gas Chromatography	SAICAR_TMS_244	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	2018.93
Gas Chromatography	SAICAR_TMS_245	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard non polar	2025-10-23	1885.02
Gas Chromatography	SAICAR_TMS_246	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1815.7
Gas Chromatography	SAICAR_TMS_247	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	3127.27
Gas Chromatography	SAICAR_TMS_248	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard non polar	2025-10-23	3501.38
Gas Chromatography	SAICAR_TMS_249	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	4007.76
Gas Chromatography	SAICAR_TMS_250	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1906.14
Gas Chromatography	SAICAR_TMS_251	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	550.202
Gas Chromatography	SAICAR_TMS_252	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1935.51
Gas Chromatography	SAICAR_TMS_253	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2617.44
Gas Chromatography	SAICAR_TMS_254	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	1438.9
Gas Chromatography	SAICAR_TMS_255	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	814.988
Gas Chromatography	SAICAR_TMS_256	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard non polar	2025-10-23	778.202
Gas Chromatography	SAICAR_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O	standard polar	2025-10-23	1885.34
Gas Chromatography	SAICAR_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N	standard polar	2025-10-23	2097.61
Gas Chromatography	SAICAR_TMS_3	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	1696.08
Gas Chromatography	SAICAR_TMS_4	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	standard polar	2025-10-23	3003.41
Gas Chromatography	SAICAR_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@H](O)[C@@H]1O	standard polar	2025-10-23	3338.71
Gas Chromatography	SAICAR_TMS_6	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2162.75
Gas Chromatography	SAICAR_TMS_7	C[Si](C)(C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	2185.54
Gas Chromatography	SAICAR_TMS_8	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	2218.53
Gas Chromatography	SAICAR_TMS_9	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard polar	2025-10-23	1677.45
Gas Chromatography	SAICAR_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2674.89
Gas Chromatography	SAICAR_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O	standard polar	2025-10-23	2027.76
Gas Chromatography	SAICAR_TMS_12	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2594.09
Gas Chromatography	SAICAR_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O	standard polar	2025-10-23	1265.87
Gas Chromatography	SAICAR_TMS_14	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1423.38
Gas Chromatography	SAICAR_TMS_15	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	2348.28
Gas Chromatography	SAICAR_TMS_16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N	standard polar	2025-10-23	1552.27
Gas Chromatography	SAICAR_TMS_17	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	997.031
Gas Chromatography	SAICAR_TMS_18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N	standard polar	2025-10-23	1843.0
Gas Chromatography	SAICAR_TMS_19	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2133.18
Gas Chromatography	SAICAR_TMS_20	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	1546.87
Gas Chromatography	SAICAR_TMS_21	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	633.203
Gas Chromatography	SAICAR_TMS_22	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2382.51
Gas Chromatography	SAICAR_TMS_23	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard polar	2025-10-23	1818.61
Gas Chromatography	SAICAR_TMS_24	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1715.03
Gas Chromatography	SAICAR_TMS_25	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2696.93
Gas Chromatography	SAICAR_TMS_26	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	1420.21
Gas Chromatography	SAICAR_TMS_27	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1801.88
Gas Chromatography	SAICAR_TMS_28	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2024.95
Gas Chromatography	SAICAR_TMS_29	C[Si](C)(C)N(C1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard polar	2025-10-23	1414.95
Gas Chromatography	SAICAR_TMS_30	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3483.45
Gas Chromatography	SAICAR_TMS_31	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1233.97
Gas Chromatography	SAICAR_TMS_32	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1833.76
Gas Chromatography	SAICAR_TMS_33	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	2819.34
Gas Chromatography	SAICAR_TMS_34	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1358.08
Gas Chromatography	SAICAR_TMS_35	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2165.69
Gas Chromatography	SAICAR_TMS_36	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	2613.71
Gas Chromatography	SAICAR_TMS_37	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard polar	2025-10-23	2344.3
Gas Chromatography	SAICAR_TMS_38	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1295.07
Gas Chromatography	SAICAR_TMS_39	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1255.38
Gas Chromatography	SAICAR_TMS_40	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2759.89
Gas Chromatography	SAICAR_TMS_41	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3244.05
Gas Chromatography	SAICAR_TMS_42	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1826.63
Gas Chromatography	SAICAR_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O	standard polar	2025-10-23	1470.48
Gas Chromatography	SAICAR_TMS_44	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1312.83
Gas Chromatography	SAICAR_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O	standard polar	2025-10-23	1676.83
Gas Chromatography	SAICAR_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2047.64
Gas Chromatography	SAICAR_TMS_47	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2525.81
Gas Chromatography	SAICAR_TMS_48	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2158.92
Gas Chromatography	SAICAR_TMS_49	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1706.12
Gas Chromatography	SAICAR_TMS_50	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3012.85
Gas Chromatography	SAICAR_TMS_51	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1190.63
Gas Chromatography	SAICAR_TMS_52	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	1457.76
Gas Chromatography	SAICAR_TMS_53	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2457.98
Gas Chromatography	SAICAR_TMS_54	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1631.17
Gas Chromatography	SAICAR_TMS_55	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N	standard polar	2025-10-23	1521.61
Gas Chromatography	SAICAR_TMS_56	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2315.63
Gas Chromatography	SAICAR_TMS_57	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N	standard polar	2025-10-23	2431.27
Gas Chromatography	SAICAR_TMS_58	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3163.78
Gas Chromatography	SAICAR_TMS_59	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2075.33
Gas Chromatography	SAICAR_TMS_60	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2276.67
Gas Chromatography	SAICAR_TMS_61	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1702.51
Gas Chromatography	SAICAR_TMS_62	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1576.36
Gas Chromatography	SAICAR_TMS_63	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	780.952
Gas Chromatography	SAICAR_TMS_64	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1930.34
Gas Chromatography	SAICAR_TMS_65	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2213.02
Gas Chromatography	SAICAR_TMS_66	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	2197.53
Gas Chromatography	SAICAR_TMS_67	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2190.43
Gas Chromatography	SAICAR_TMS_68	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard polar	2025-10-23	1302.59
Gas Chromatography	SAICAR_TMS_69	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1161.45
Gas Chromatography	SAICAR_TMS_70	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1805.58
Gas Chromatography	SAICAR_TMS_71	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	standard polar	2025-10-23	2102.39
Gas Chromatography	SAICAR_TMS_72	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2700.9
Gas Chromatography	SAICAR_TMS_73	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2118.54
Gas Chromatography	SAICAR_TMS_74	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	2154.99
Gas Chromatography	SAICAR_TMS_75	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1875.42
Gas Chromatography	SAICAR_TMS_76	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2600.7
Gas Chromatography	SAICAR_TMS_77	C[Si](C)(C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	2102.53
Gas Chromatography	SAICAR_TMS_78	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2212.55
Gas Chromatography	SAICAR_TMS_79	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	3010.88
Gas Chromatography	SAICAR_TMS_80	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2136.44
Gas Chromatography	SAICAR_TMS_81	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2622.41
Gas Chromatography	SAICAR_TMS_82	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2443.62
Gas Chromatography	SAICAR_TMS_83	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	681.087
Gas Chromatography	SAICAR_TMS_84	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2120.64
Gas Chromatography	SAICAR_TMS_85	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	1822.78
Gas Chromatography	SAICAR_TMS_86	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1943.37
Gas Chromatography	SAICAR_TMS_87	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1125.85
Gas Chromatography	SAICAR_TMS_88	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	2889.59
Gas Chromatography	SAICAR_TMS_89	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1970.83
Gas Chromatography	SAICAR_TMS_90	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	1095.38
Gas Chromatography	SAICAR_TMS_91	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2076.18
Gas Chromatography	SAICAR_TMS_92	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1870.45
Gas Chromatography	SAICAR_TMS_93	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard polar	2025-10-23	1869.78
Gas Chromatography	SAICAR_TMS_94	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1951.58
Gas Chromatography	SAICAR_TMS_95	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	3882.1
Gas Chromatography	SAICAR_TMS_96	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard polar	2025-10-23	2365.79
Gas Chromatography	SAICAR_TMS_97	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1931.58
Gas Chromatography	SAICAR_TMS_98	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1263.14
Gas Chromatography	SAICAR_TMS_99	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1548.97
Gas Chromatography	SAICAR_TMS_100	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1835.35
Gas Chromatography	SAICAR_TMS_101	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	668.436
Gas Chromatography	SAICAR_TMS_102	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3464.12
Gas Chromatography	SAICAR_TMS_103	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1832.24
Gas Chromatography	SAICAR_TMS_104	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O	standard polar	2025-10-23	2230.23
Gas Chromatography	SAICAR_TMS_105	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	3334.29
Gas Chromatography	SAICAR_TMS_106	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	3536.86
Gas Chromatography	SAICAR_TMS_107	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1831.94
Gas Chromatography	SAICAR_TMS_108	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2129.68
Gas Chromatography	SAICAR_TMS_109	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2022.56
Gas Chromatography	SAICAR_TMS_110	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2327.33
Gas Chromatography	SAICAR_TMS_111	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1217.97
Gas Chromatography	SAICAR_TMS_112	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2439.15
Gas Chromatography	SAICAR_TMS_113	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2221.85
Gas Chromatography	SAICAR_TMS_114	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1121.25
Gas Chromatography	SAICAR_TMS_115	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2494.82
Gas Chromatography	SAICAR_TMS_116	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	1623.81
Gas Chromatography	SAICAR_TMS_117	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1888.56
Gas Chromatography	SAICAR_TMS_118	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1649.4
Gas Chromatography	SAICAR_TMS_119	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	3000.27
Gas Chromatography	SAICAR_TMS_120	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2791.56
Gas Chromatography	SAICAR_TMS_121	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1343.86
Gas Chromatography	SAICAR_TMS_122	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N	standard polar	2025-10-23	786.155
Gas Chromatography	SAICAR_TMS_123	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1953.33
Gas Chromatography	SAICAR_TMS_124	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2604.16
Gas Chromatography	SAICAR_TMS_125	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1713.0
Gas Chromatography	SAICAR_TMS_126	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1595.68
Gas Chromatography	SAICAR_TMS_127	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2117.29
Gas Chromatography	SAICAR_TMS_128	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1793.16
Gas Chromatography	SAICAR_TMS_129	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2302.1
Gas Chromatography	SAICAR_TMS_130	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3957.88
Gas Chromatography	SAICAR_TMS_131	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1860.56
Gas Chromatography	SAICAR_TMS_132	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1204.65
Gas Chromatography	SAICAR_TMS_133	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	1529.1
Gas Chromatography	SAICAR_TMS_134	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	81.4905
Gas Chromatography	SAICAR_TMS_135	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2416.21
Gas Chromatography	SAICAR_TMS_136	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2440.0
Gas Chromatography	SAICAR_TMS_137	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1707.96
Gas Chromatography	SAICAR_TMS_138	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard polar	2025-10-23	1300.66
Gas Chromatography	SAICAR_TMS_139	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	961.758
Gas Chromatography	SAICAR_TMS_140	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2982.54
Gas Chromatography	SAICAR_TMS_141	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	2340.66
Gas Chromatography	SAICAR_TMS_142	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2954.66
Gas Chromatography	SAICAR_TMS_143	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1867.21
Gas Chromatography	SAICAR_TMS_144	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2413.49
Gas Chromatography	SAICAR_TMS_145	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2734.31
Gas Chromatography	SAICAR_TMS_146	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2630.47
Gas Chromatography	SAICAR_TMS_147	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	3242.12
Gas Chromatography	SAICAR_TMS_148	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3999.71
Gas Chromatography	SAICAR_TMS_149	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2014.27
Gas Chromatography	SAICAR_TMS_150	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1640.97
Gas Chromatography	SAICAR_TMS_151	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	263.674
Gas Chromatography	SAICAR_TMS_152	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1932.6
Gas Chromatography	SAICAR_TMS_153	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1438.92
Gas Chromatography	SAICAR_TMS_154	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2983.51
Gas Chromatography	SAICAR_TMS_155	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1692.55
Gas Chromatography	SAICAR_TMS_156	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2418.62
Gas Chromatography	SAICAR_TMS_157	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2061.12
Gas Chromatography	SAICAR_TMS_158	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2186.69
Gas Chromatography	SAICAR_TMS_159	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	2631.23
Gas Chromatography	SAICAR_TMS_160	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	3056.21
Gas Chromatography	SAICAR_TMS_161	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1901.71
Gas Chromatography	SAICAR_TMS_162	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	1123.72
Gas Chromatography	SAICAR_TMS_163	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1643.84
Gas Chromatography	SAICAR_TMS_164	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	911.1
Gas Chromatography	SAICAR_TMS_165	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	2830.04
Gas Chromatography	SAICAR_TMS_166	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	741.426
Gas Chromatography	SAICAR_TMS_167	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1569.13
Gas Chromatography	SAICAR_TMS_168	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1072.09
Gas Chromatography	SAICAR_TMS_169	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard polar	2025-10-23	1760.9
Gas Chromatography	SAICAR_TMS_170	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	3364.45
Gas Chromatography	SAICAR_TMS_171	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	4627.39
Gas Chromatography	SAICAR_TMS_172	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2450.28
Gas Chromatography	SAICAR_TMS_173	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1583.23
Gas Chromatography	SAICAR_TMS_174	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1593.05
Gas Chromatography	SAICAR_TMS_175	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2640.39
Gas Chromatography	SAICAR_TMS_176	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1765.28
Gas Chromatography	SAICAR_TMS_177	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2515.74
Gas Chromatography	SAICAR_TMS_178	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2112.7
Gas Chromatography	SAICAR_TMS_179	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2809.26
Gas Chromatography	SAICAR_TMS_180	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	-87.7266
Gas Chromatography	SAICAR_TMS_181	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2266.66
Gas Chromatography	SAICAR_TMS_182	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1145.65
Gas Chromatography	SAICAR_TMS_183	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2647.43
Gas Chromatography	SAICAR_TMS_184	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2273.71
Gas Chromatography	SAICAR_TMS_185	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1658.39
Gas Chromatography	SAICAR_TMS_186	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1098.75
Gas Chromatography	SAICAR_TMS_187	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1153.17
Gas Chromatography	SAICAR_TMS_188	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1983.79
Gas Chromatography	SAICAR_TMS_189	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1999.47
Gas Chromatography	SAICAR_TMS_190	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	780.639
Gas Chromatography	SAICAR_TMS_191	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1740.7
Gas Chromatography	SAICAR_TMS_192	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	2283.42
Gas Chromatography	SAICAR_TMS_193	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2183.23
Gas Chromatography	SAICAR_TMS_194	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1842.19
Gas Chromatography	SAICAR_TMS_195	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2323.04
Gas Chromatography	SAICAR_TMS_196	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2516.86
Gas Chromatography	SAICAR_TMS_197	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	-258.02
Gas Chromatography	SAICAR_TMS_198	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1437.23
Gas Chromatography	SAICAR_TMS_199	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	3303.19
Gas Chromatography	SAICAR_TMS_200	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2073.27
Gas Chromatography	SAICAR_TMS_201	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1899.75
Gas Chromatography	SAICAR_TMS_202	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2752.98
Gas Chromatography	SAICAR_TMS_203	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	2319.77
Gas Chromatography	SAICAR_TMS_204	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1999.08
Gas Chromatography	SAICAR_TMS_205	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1249.24
Gas Chromatography	SAICAR_TMS_206	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	standard polar	2025-10-23	1742.66
Gas Chromatography	SAICAR_TMS_207	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1285.88
Gas Chromatography	SAICAR_TMS_208	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1814.61
Gas Chromatography	SAICAR_TMS_209	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	1307.04
Gas Chromatography	SAICAR_TMS_210	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1331.28
Gas Chromatography	SAICAR_TMS_211	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1913.48
Gas Chromatography	SAICAR_TMS_212	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2076.42
Gas Chromatography	SAICAR_TMS_213	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3540.77
Gas Chromatography	SAICAR_TMS_214	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2361.77
Gas Chromatography	SAICAR_TMS_215	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2665.18
Gas Chromatography	SAICAR_TMS_216	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	3668.91
Gas Chromatography	SAICAR_TMS_217	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	2277.9
Gas Chromatography	SAICAR_TMS_218	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2070.1
Gas Chromatography	SAICAR_TMS_219	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	4326.77
Gas Chromatography	SAICAR_TMS_220	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	3125.06
Gas Chromatography	SAICAR_TMS_221	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2351.56
Gas Chromatography	SAICAR_TMS_222	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2623.2
Gas Chromatography	SAICAR_TMS_223	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1279.32
Gas Chromatography	SAICAR_TMS_224	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1479.33
Gas Chromatography	SAICAR_TMS_225	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O	standard polar	2025-10-23	970.594
Gas Chromatography	SAICAR_TMS_226	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1240.8
Gas Chromatography	SAICAR_TMS_227	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1974.15
Gas Chromatography	SAICAR_TMS_228	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3818.45
Gas Chromatography	SAICAR_TMS_229	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2842.17
Gas Chromatography	SAICAR_TMS_230	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	1843.3
Gas Chromatography	SAICAR_TMS_231	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1839.28
Gas Chromatography	SAICAR_TMS_232	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	-42.7753
Gas Chromatography	SAICAR_TMS_233	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	standard polar	2025-10-23	4049.17
Gas Chromatography	SAICAR_TMS_234	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1162.6
Gas Chromatography	SAICAR_TMS_235	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2640.32
Gas Chromatography	SAICAR_TMS_236	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N[C@@H](CC(=O)O)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1825.08
Gas Chromatography	SAICAR_TMS_237	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2586.98
Gas Chromatography	SAICAR_TMS_238	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2635.73
Gas Chromatography	SAICAR_TMS_239	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2017.62
Gas Chromatography	SAICAR_TMS_240	C[Si](C)(C)NC1=C(C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3228.6
Gas Chromatography	SAICAR_TMS_241	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2156.65
Gas Chromatography	SAICAR_TMS_242	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2836.11
Gas Chromatography	SAICAR_TMS_243	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1152.37
Gas Chromatography	SAICAR_TMS_244	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1327.98
Gas Chromatography	SAICAR_TMS_245	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O	standard polar	2025-10-23	1877.75
Gas Chromatography	SAICAR_TMS_246	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	798.578
Gas Chromatography	SAICAR_TMS_247	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	3135.5
Gas Chromatography	SAICAR_TMS_248	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	standard polar	2025-10-23	1829.34
Gas Chromatography	SAICAR_TMS_249	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	790.806
Gas Chromatography	SAICAR_TMS_250	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1958.51
Gas Chromatography	SAICAR_TMS_251	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1726.26
Gas Chromatography	SAICAR_TMS_252	C[Si](C)(C)OC(=O)C[C@H](NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2705.81
Gas Chromatography	SAICAR_TMS_253	C[Si](C)(C)NC1=C(C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2252.88
Gas Chromatography	SAICAR_TMS_254	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	1386.19
Gas Chromatography	SAICAR_TMS_255	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	2211.46
Gas Chromatography	SAICAR_TMS_256	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	standard polar	2025-10-23	3692.52

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces
Fibroblasts
Intestine
Urine

Tissue Locations

Fibroblasts
Intestine

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192229	Adenylosuccinate lyase	Enzyme	P30566	Homo sapiens
MMDBp0192512	Multifunctional protein ADE2	Enzyme	P22234	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
De novo purine biosynthesis		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Acinetobacter sp. ADP1 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Mycobacterium tuberculosis Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Mycobacterium tuberculosis CDC1551 Bacillus amyloliquefaciens Streptococcus pneumoniae Roseburia intestinalis L1-82 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Helicobacter pylori Staphylococcus aureus Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Clostridium sporogenes Rhodospirillum rubrum ATCC 11170 Methanoculleus marisnigri Lactobacillus fermentum IFO 3956 Streptococcus pneumoniae TIGR4 Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acidaminococcus fermentans DSM 20731 Acidaminococcus intestini RyC-MR95 Acinetobacter baumannii Akkermansia muciniphila ATCC BAA-835 Alistipes finegoldii DSM 17242 Anaerococcus prevotii DSM 20548 Anaerostipes caccae Anaerostipes hadrus Arcobacter butzleri RM4018 Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Bacteroides caccae Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides ovatus Bacteroides stercoris Bacteroides stercoris ATCC 43183 Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron VPI-5482 Bacteroides vulgatus Bacteroides xylanisolvens XB1A Bifidobacterium Bifidum Bifidobacterium adolescentis Bifidobacterium adolescentis ATCC 15703 Bifidobacterium animalis subsp. lactis Bifidobacterium bifidum BGN4 Bifidobacterium bifidum PRL2010 Bifidobacterium longum Bifidobacterium longum DJO10A Bifidobacterium longum NCC2705 Bifidobacterium longum subsp. longum JDM301 Bifidobacterium mongoliense DSM 21395 Bifidobacterium thermophilum RBL67 Blautia hansenii DSM 20583 Blautia obeum A2-162 Blautia obeum ATCC 29174 Brevibacillus brevis NBRC 100599 Campylobacter fetus subsp. fetus 82-40 Campylobacter hominis ATCC BAA-381 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Collinsella aerofaciens Coprococcus catus GD/7 Dorea formicigenerans ATCC 27755 Dysgonomonas gadei ATCC BAA-286 Eggerthella lenta DSM 2243 Enterococcus faecalis Enterococcus hirae ATCC 9790 Eubacterium eligens ATCC 27750 Eubacterium rectale ATCC 33656 Eubacterium siraeum 70/3 Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Gordonibacter pamelaeae 7-10-1-b Haemophilus parainfluenzae T3T1 Limosilactobacillus fermentum Lactobacillus paracasei Lactobacillus reuteri Megamonas hypermegale Methanobrevibacter smithii Methanobrevibacter smithii ATCC 35061 Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Odoribacter splanchnicus DSM 20712 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Parabacteroides goldsteinii dnLKV18 Porphyromonas asaccharolytica DSM 20707 Porphyromonas endodontalis ATCC 35406 Porphyromonas gingivalis ATCC 33277 Prevotella intermedia Prevotella ruminicola 23 Roseburia hominis A2-183 Ruminococcus bicirculans Ruminococcus champanellensis 18P13 = JCM 17042 Ruminococcus torques L2-14 Streptococcus salivarius lactobacillus vaginalis Pelobacter carbinolicus Spirochaeta thermophila Campylobacter concisus Campylobacter curvus Campylobacter lari Campylobacter rectus Campylobacter showae Thermus thermophilus Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Moraxella catarrhalis Neisseria flavescens Neisseria gonorrhoeae Neisseria mucosa Acidiphilium cryptum Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Bacteroides uniformis Campylobacter gracilis Fusobacterium gonidiaformans Fusobacterium periodonticum Fusobacterium ulcerans Syntrophomonas wolfei Desulfovibrio salexigens Desulfovibrio piger Acidithiobacillus ferrooxidans Cytophaga hutchinsonii Capnocytophaga ochracea Capnocytophaga sputigena Rhodopseudomonas palustris Chlorobium phaeobacteroides Leuconostoc mesenteroides Ruminococcus albus Staphylococcus epidermidis Deinococcus radiodurans Streptococcus gordonii Streptococcus oralis Streptococcus sanguinis Streptococcus mutans Streptococcus agalactiae Streptococcus pyogenes Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Lancefieldella rimae Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Moorella thermoacetica Clostridium kluyveri Weissella confusa Lactobacillus delbrueckii Lactobacillus helveticus Lactobacillus plantarum Lactobacillus gasseri Lactobacillus sakei Lactobacillus amylovorus Lactobacillus coryniformis Lactobacillus salivarius Listeria monocytogenes Actinomyces viscosus Bifidobacterium angulatum Cellulomonas flavigena Corynebacterium diphtheriae Corynebacterium glutamicum Mycobacterium avium Methanococcus vannielii Desulfobacterium autotrophicum Methanosphaera stadtmanae Thermotoga neapolitana Xylella fastidiosa Roseobacter denitrificans Bifidobacterium pseudocatenulatum Staphylococcus lugdunensis Acidothermus cellulolyticus Campylobacter upsaliensis Alistipes putredinis Neisseria subflava Staphylococcus saprophyticus Pelobacter propionicus Caldicellulosiruptor bescii Enterococcus avium Eubacterium brachy Helicobacter pullorum Thiobacillus denitrificans Helicobacter bilis Enterococcus casseliflavus Eubacterium eligens Eubacterium ramulus Eubacterium ventriosum Sulfurimonas denitrificans Veillonella atypica Veillonella dispar Stenotrophomonas maltophilia Leptotrichia buccalis Actinosynnema mirum Caldicellulosiruptor saccharolyticus Enterococcus cecorum Streptococcus cristatus Mitsuokella multacida Brachyspira pilosicoli Enterococcus durans Blautia hydrogenotrophica Acidimicrobium ferrooxidans Desulfotomaculum reducens Burkholderia vietnamiensis Holdemania filiformis Sodalis glossinidius Methanocaldococcus infernus Streptococcus peroris Enterobacter cancerogenus Methanocaldococcus vulcanius Alloprevotella tannerae Streptococcus constellatus Bifidobacterium gallicum Bacillus clausii Bacillus pseudofirmus Methanocaldococcus fervens Lactobacillus amylolyticus Methanobrevibacter ruminantium Clostridium methylpentosum Bacillus selenitireducens Achromobacter xylosoxidans Burkholderia multivorans Dorea longicatena Peptacetobacter hiranonis Burkholderia cenocepacia Actinomyces urogenitalis Methylibium petroleiphilum Pelotomaculum thermopropionicum Syntrophobacter fumaroxidans Citrobacter youngae Leuconostoc kimchii Collinsella stercoris Streptococcus lutetiensis Burkholderia ambifaria Ignicoccus hospitalis Prevotella copri Ilyobacter polytropus Marvinbryantia formatexigens Anaerotruncus colihominis Alicycliphilus denitrificans Desulfovibrio magneticus Shewanella denitrificans Methylocella silvestris Bacteroides massiliensis Escherichia albertii Subdoligranulum variabile Dialister invisus Geobacter bemidjiensis Lactobacillus gastricus Lactobacillus antri Streptococcus pseudopneumoniae Bacteroides nordii Bacteroides plebeius Phocaeicola coprocola Bacteroides pyogenes Geobacter lovleyi Streptococcus gallolyticus Syntrophus aciditrophicus Bacteroides intestinalis Bacteroides salanitronis Coprococcus comes Actinomyces oris Bacteroides fluxus Bacteroides oleiciplenus Bacteroides faecis Agrobacterium tumefaciens Alistipes finegoldii Alistipes shahii Bacteroides helcogenes Bacteroides xylanisolvens Bifidobacterium animalis Bifidobacterium breve Bifidobacterium catenulatum Blautia hansenii Blautia obeum Campylobacter coli Campylobacter hominis Campylobacter jejuni Clostridium beijerinckii Dorea formicigenerans Dysgonomonas gadei Enterococcus faecium Enterococcus hirae Fusobacterium nucleatum Gemella sanguinis Haemophilus parainfluenzae Klebsiella variicola Lactobacillus rhamnosus Lactobacillus ruminis Lactococcus lactis Leuconostoc citreum Odoribacter splanchnicus Parabacteroides goldsteinii Porphyromonas asaccharolytica Prevotella ruminicola Streptococcus mitis Streptococcus parasanguinis Streptococcus suis Streptococcus thermophiles Veillonella parvula Gemella haemolysans Rothia dentocariosa Rothia mucilaginosa Actinomyces graevenitzii Barnesiella intestinihominis Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Atopobium parvulum DSM 20469 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bartonella quintana str. Toulouse Bifidobacterium animalis subsp. lactis AD011 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter jejuni subsp. doylei 269.97 Campylobacter curvus 525.92 Campylobacter concisus 13826 Campylobacter lari RM2100 Capnocytophaga ochracea DSM 7271 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium sticklandii DSM 519 Clostridium sp. SY8519 Clostridium perfringens SM101 Corynebacterium aurimucosum ATCC 700975 Corynebacterium kroppenstedtii DSM 44385 Cronobacter sakazakii ATCC BAA-894 Cryptobacterium curtum DSM 15641 Delftia acidovorans SPH-1 Dyadobacter fermentans DSM 18053 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Finegoldia magna ATCC 29328 Haemophilus influenzae 86-028NP Haemophilus influenzae PittGG Helicobacter pylori J99 Helicobacter pylori G27 Helicobacter pylori P12 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Kocuria rhizophila DC2201 Kytococcus sedentarius DSM 20547 Lactobacillus plantarum WCFS1 Lactobacillus salivarius UCC118 Lactobacillus acidophilus NCFM Lactobacillus sakei subsp. sakei 23K Lactobacillus brevis ATCC 367 Lactobacillus casei ATCC 334 Lactobacillus reuteri DSM 20016 Lactobacillus helveticus DPC 4571 Lactobacillus amylovorus GRL 1112 Lactobacillus reuteri SD2112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris SK11 Lactococcus lactis subsp. cremoris MG1363 Laribacter hongkongensis HLHK9 Leptotrichia buccalis C-1013-b Leuconostoc mesenteroides subsp. mesenteroides ATCC 8293 Lysinibacillus sphaericus C3-41 Mesorhizobium loti MAFF303099 Methanobrevibacter ruminantium M1 Methanosphaera stadtmanae DSM 3091 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Micrococcus luteus NCTC 2665 Mobiluncus curtisii ATCC 43063 Mycobacterium avium subsp. paratuberculosis K-10 Mycobacterium avium 104 Neisseria gonorrhoeae FA 1090 Neisseria meningitidis MC58 Neisseria meningitidis Z2491 Neisseria meningitidis FAM18 Neisseria gonorrhoeae NCCP11945 Tropheryma whipplei str. Twist Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 Filifactor alocis ATCC 35896 Bifidobacterium animalis subsp. lactis CNCM I-2494 Pediococcus pentosaceus ATCC 25745 Porphyromonas gingivalis W83 Propionibacterium freudenreichii subsp. shermanii CIRM-BIA1 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 Rothia mucilaginosa DY-18 Rothia dentocariosa ATCC 17931 Ruminococcus albus 7 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus epidermidis RP62A Staphylococcus epidermidis ATCC 12228 Staphylococcus haemolyticus JCSC1435 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Staphylococcus aureus subsp. aureus NCTC 8325 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus agalactiae 2603V/R Streptococcus mutans UA159 Streptococcus agalactiae NEM316 Streptococcus pyogenes MGAS10394 Streptococcus thermophilus LMG 18311 Streptococcus pyogenes MGAS9429 Streptococcus pneumoniae D39 Streptococcus sanguinis SK36 Streptococcus gordonii str. Challis substr. CH1 Streptococcus pneumoniae Hungary19A-6 Streptococcus pyogenes NZ131 Streptococcus uberis 0140J Streptococcus pneumoniae JJA Streptococcus equi subsp. equi 4047 Streptococcus oralis Uo5 Sulfolobus solfataricus P2 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Aquifex aeolicus Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides fluxus YIT 12057 Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides nordii CL02T12C05 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides pyogenes DSM 20611 = JCM 6294 Bacteroides uniformis ATCC 8492 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_14 Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D20 Bacteroides sp. D22 Barnesiella intestinihominis YIT 11860 Butyricimonas virosa Odoribacter laneus YIT 12061 Porphyromonas endodontalis Porphyromonas uenonis 60-3 Alloprevotella tannerae ATCC 51259 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Prevotella bivia DSM 20514 Prevotella buccae ATCC 33574 Prevotella denticola Prevotella disiens FB035-09AN Prevotella loescheii DSM 19665 = JCM 12249 = ATCC 15930 Prevotella oralis ATCC 33269 Prevotella pallens ATCC 700821 Prevotella salivae DSM 15606 Prevotella shahii DSM 15611 = JCM 12083 Prevotella timonensis CRIS 5C-B1 Alistipes indistinctus YIT 12060 Alistipes putredinis DSM 17216 Parabacteroides johnsonii DSM 18315 Parabacteroides sp. D13 Tannerella forsythia Bacteroides coprophilus DSM 18228 = JCM 13818 Bacteroides dorei DSM 17855 Spirosoma linguale Chlorobium limicola Cetobacterium somerae ATCC BAA-474 Fusobacterium gonidiaformans 3-1-5R Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Fusobacterium periodonticum 1_1_41FAA Thermodesulfovibrio yellowstonii Bartonella quintana Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Ehrlichia chaffeensis Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Parasutterella excrementihominis YIT 11859 Sutterella parvirubra Sutterella parvirubra YIT 11816 Laribacter hongkongensis Eikenella corrodens Eikenella corrodens ATCC 23834 Kingella oralis Kingella oralis ATCC 51147 Neisseria cinerea ATCC 14685 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Nitrosospira multiformis Methyloversatilis universalis Methyloversatilis universalis FAM5 Desulfococcus oleovorans Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Arcobacter butzleri Campylobacter gracilis RM3268 Campylobacter hyointestinalis Campylobacter rectus RM3267 Campylobacter showae CSUNSWCD Campylobacter upsaliensis JV21 Helicobacter bilis ATCC 43879 Helicobacter pullorum MIT 98-5489 Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 Succinivibrio dextrinosolvens Allochromatium vinosum Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Legionella pneumophila Actinobacillus pleuropneumoniae Aggregatibacter aphrophilus Haemophilus haemolyticus Haemophilus sputorum Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Francisella tularensis Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Brachyspira pilosicoli B2904 Leptospira interrogans Treponema denticola Acetomicrobium hydrogeniformans Actinomyces graevenitzii C83 Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces urogenitalis DSM 15434 Actinomyces viscosus C505 Mobiluncus curtisii Trueperella pyogenes Bifidobacterium stercoris JCM 15918 Bifidobacterium angulatum DSM 20098 = JCM 7096 Bifidobacterium boum Bifidobacterium catenulatum DSM 16992 = JCM 1194 = LMG 11043 Bifidobacterium gallicum DSM 20093 = LMG 11596 Bifidobacterium longum subsp. infantis CCUG 52486 Bifidobacterium mongoliense Bifidobacterium pseudocatenulatum DSM 20438 = JCM 1200 = LMG 10505 Bifidobacterium thermacidophilum Bifidobacterium thermophilum Scardovia inopinata F0304 Corynebacterium amycolatum Corynebacterium aurimucosum Corynebacterium durum Corynebacterium durum F0235 Corynebacterium tuberculostearicum Corynebacterium tuberculostearicum SK141 Gordonia terrae C-6 Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Brevibacterium linens Microbacterium oleivorans Kocuria palustris PEL Rothia aeria F0474 Cellulosimicrobium cellulans Tropheryma whipplei Propionibacterium Streptomyces avermitilis Thermomonospora curvata Atopobium minutum 10063974 Lancefieldella rimae ATCC 49626 Olsenella profusa F0195 Collinsella intestinalis DSM 13280 Collinsella stercoris DSM 13279 Collinsella tanakaei YIT 12063 Cryptobacterium curtum Slackia exigua ATCC 700122 Slackia piriformis YIT 12062 Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Lysinibacillus sphaericus Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Gemella haemolysans ATCC 10379 Exiguobacterium aurantiacum Abiotrophia defectiva Abiotrophia defectiva ATCC 49176 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus amylolyticus DSM 11664 Lactobacillus hilgardii DSM 20176 = ATCC 8290 Lactobacillus ruminis ATCC 25644 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus antri DSM 16041 Lactobacillus coleohominis 101-4-CHN Lactobacillus gastricus PS3 Lactobacillus mucosae LM1 Lactobacillus vaginalis DSM 5837 = ATCC 49540 Lactobacillus reuteri CF48-3A Lactobacillus reuteri MM4-1A Lactobacillus coryniformis subsp. coryniformis CECT 5711 Pediococcus acidilactici DSM 20284 Pediococcus pentosaceus Leuconostoc lactis Leuconostoc mesenteroides subsp. cremoris ATCC 19254 Oenococcus oeni Weissella cibaria Weissella paramesenteroides Weissella paramesenteroides ATCC 33313 Lactococcus garvieae Streptococcus constellatus subsp. pharyngis SK1060 = CCUG 46377 Streptococcus australis ATCC 700641 Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Streptococcus equinus ATCC 9812 Streptococcus infantis ATCC 700779 Streptococcus lutetiensis 033 Streptococcus vestibularis F0396 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Anaerofustis stercorihominis Anaerofustis stercorihominis DSM 17244 Eubacterium ramulus ATCC 29099 Eubacterium ventriosum ATCC 27560 [Eubacterium] cellulosolvens 6 Pseudoramibacter alactolyticus ATCC 23263 Anaerostipes caccae DSM 14662 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Coprococcus comes ATCC 27758 Dorea longicatena DSM 13814 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 Lachnospira multipara [Ruminococcus] gnavus ATCC 29149 [Ruminococcus] lactaris ATCC 29176 [Ruminococcus] torques ATCC 27756 Roseburia inulinivorans DSM 16841 Peptostreptococcus stomatis DSM 17678 Anaerotruncus colihominis DSM 17241 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Ruminococcus callidus ATCC 27760 Ruminococcus champanellensis Subdoligranulum variabile DSM 15176 [Clostridium] leptum DSM 753 [Eubacterium] siraeum DSM 15702 [Bacteroides] pectinophilus ATCC 43243 Mogibacterium timidum Mogibacterium timidum ATCC 33093 Eubacterium brachy ATCC 33089 Eubacterium saphenum ATCC 49989 Eggerthia catenaformis OT 569 = DSM 20559 [Clostridium] innocuum 2959 Clostridium spiroforme [Clostridium] spiroforme DSM 1552 Holdemania filiformis DSM 12042 Kandleria vitulina Kandleria vitulina DSM 20405 Solobacterium moorei F0204 Acidaminococcus intestini Phascolarctobacterium succinatutens YIT 12067 Mitsuokella multacida DSM 20544 Dialister invisus DSM 15470 Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Megasphaera elsdenii Veillonella atypica ACS-049-V-Sch6 Veillonella dispar ATCC 17748 Anaerococcus hydrogenalis DSM 7454 Anaerococcus vaginalis ATCC 51170 Parvimonas micra ATCC 33270 Peptoniphilus harei ACS-146-V-Sch2b Peptoniphilus indolicus ATCC 29427 Halococcus morrhuae DSM 1307 Halococcus morrhuae Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Corynebacterium glutamicum ATCC 13032 Clostridioides difficile 630 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Bifidobacterium longum subsp. infantis Bifidobacterium longum subsp. longum Eggerthella sp. YY7918 Faecalitalea cylindroides T2-87 Lachnoclostridium phytofermentans ISDg Lactobacillus ruminis ATCC 27782 Leuconostoc citreum KM20 Streptococcus mitis B6 Streptococcus parasanguinis ATCC 15912 Streptococcus parasanguinis FW213 Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Acidimicrobium ferrooxidans DSM 10331 Acidothermus cellulolyticus 11B Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Bacillus selenitireducens MLS10 Beutenbergia cavernae DSM 12333 Bifidobacterium dentium Bd1 Butyrivibrio proteoclasticus B316 Caldicellulosiruptor bescii DSM 6725 Candidatus Desulforudis audaxviator MP104C Carboxydothermus hydrogenoformans Z-2901 Catenulispora acidiphila DSM 44928 Cellulomonas flavigena DSM 20109 Clavibacter michiganensis subsp. michiganensis NCPPB 382 Clostridium tetani E88 Clostridium novyi NT Clostridium thermocellum ATCC 27405 Clostridium kluyveri DSM 555 Clostridium kluyveri NBRC 12016 Clostridium cellulolyticum H10 Conexibacter woesei DSM 14684 Corynebacterium jeikeium K411 Corynebacterium glutamicum R Corynebacterium urealyticum DSM 7109 Corynebacterium resistens DSM 45100 Dehalococcoides ethenogenes 195 Dehalococcoides sp. CBDB1 Deinococcus radiodurans R1 Deinococcus geothermalis DSM 11300 Deinococcus proteolyticus MRP Desulfotomaculum reducens MI-1 Exiguobacterium sibiricum 255-15 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Gardnerella vaginalis ATCC 14019 Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Jonesia denitrificans DSM 20603 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Macrococcus caseolyticus JCSC5402 Meiothermus ruber DSM 1279 Mycobacterium leprae TN Mycobacterium bovis AF2122/97 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium leprae Br4923 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Natranaerobius thermophilus JW/NM-WN-LF Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Corynebacterium diphtheriae NCTC 13129 Oceanobacillus iheyensis HTE831 Caldicellulosiruptor saccharolyticus DSM 8903 Dictyoglomus turgidum DSM 6724 Bacillus tusciae DSM 2912 Thermobaculum terrenum ATCC BAA-798 Oenococcus oeni PSU-1 Pelotomaculum thermopropionicum SI Pseudonocardia dioxanivorans CB1190 Renibacterium salmoninarum ATCC 33209 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Saccharomonospora viridis DSM 43017 Salinispora tropica CNB-440 Sanguibacter keddieii DSM 10542 Slackia heliotrinireducens DSM 20476 Sphaerobacter thermophilus DSM 20745 Stackebrandtia nassauensis DSM 44728 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptococcus gallolyticus UCN34 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Thermobispora bispora DSM 43833 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Xylanimonas cellulosilytica DSM 15894 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus parasiticus SU-1 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus clavatus NRRL 1 Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus calidoustus Aspergillus nidulans FGSC A4 Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus violaceofuscus Aspergillus viridinutans Penicillium brasilianum Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium daleae Penicillium decumbens Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium nalgiovense Penicillium oxalicum Penicillium polonicum Penicillium roqueforti FM164 Penicillium solitum Penicillium steckii Penicillium thymicola Penicillium vulpinum Verticillium alfalfae VaMs.102 Trichoderma arundinaceum Trichoderma asperellum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma harzianum Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium poae Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Schaalia cardiffensis F0333 Schaalia odontolytica ATCC 17982 Schaalia turicensis ACS-279-V-Col4 Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Acidipropionibacterium acidipropionici ATCC 4875 Cutibacterium granulosum DSM 20700 Leuconostoc mesenteroides subsp. cremoris Anaerobutyricum hallii DSM 3353 Absiella dolichum DSM 3991 Holdemanella biformis DSM 3989 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Treponema succinifaciens DSM 2489 Halanaerobium hydrogeniformans Acaryochloris marina MBIC11017 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidobacterium capsulatum ATCC 51196 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anabaena variabilis ATCC 29413 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter sp. Fw109-5 Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Anaplasma phagocytophilum HZ Anaplasma marginale str. Florida Aquifex aeolicus VF5 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Bartonella bacilliformis KC583 Bartonella tribocorum CIP 105476 Bartonella grahamii as4aup Mannheimia succiniciproducens MBEL55E Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bordetella avium 197N Brachyspira hyodysenteriae WA1 Brachyspira murdochii DSM 12563 Brachyspira pilosicoli 95/1000 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Brucella melitensis bv. 1 str. 16M Brucella abortus bv. 1 str. 9-941 Brucella ovis ATCC 25840 Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella abortus S19 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Burkholderia rhizoxinica HKI 454 Candidatus Azobacteroides pseudotrichonymphae genomovar. CFP2 Candidatus Hamiltonella defensa 5AT (Acyrthosiphon pisum) Candidatus Koribacter versatilis Ellin345 Candidatus Liberibacter asiaticus str. psy62 Candidatus Pelagibacter ubique HTCC1062 Capnocytophaga canimorsus Cc5 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Clostridium lentocellum DSM 5427 Cellvibrio japonicus Ueda107 Cellvibrio gilvus ATCC 13127 Chitinophaga pinensis DSM 2588 Chlorobium tepidum TLS Chlorobium phaeobacteroides DSM 266 Chlorobium limicola DSM 245 Chloroflexus aurantiacus J-10-fl Chloroflexus aggregans DSM 9485 Chloroherpeton thalassium ATCC 35110 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Coprothermobacter proteolyticus DSM 5265 Coxiella burnetii RSA 493 Coxiella burnetii Dugway 5J108-111 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. ATCC 51142 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Cytophaga hutchinsonii ATCC 33406 Dehalococcoides sp. VS Deinococcus deserti VCD115 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Desulfobacterium autotrophicum HRM2 Desulfococcus oleovorans Hxd3 Desulfomicrobium baculatum DSM 4028 Desulfotalea psychrophila LSv54 Desulfovibrio vulgaris str. Hildenborough Desulfovibrio vulgaris DP4 Desulfovibrio magneticus RS-1 Desulfovibrio salexigens DSM 2638 Dichelobacter nodosus VCS1703A Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Ehrlichia ruminantium str. Welgevonden Ehrlichia chaffeensis str. Arkansas Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Erythrobacter litoralis HTCC2594 Ferrimonas balearica DSM 9799 Fervidobacterium nodosum Rt17-B1 Flavobacterium psychrophilum JIP02/86 Francisella tularensis subsp. holarctica LVS Geobacter metallireducens GS-15 Geobacter uraniireducens Rf4 Geobacter lovleyi SZ Geobacter bemidjiensis Bem Geobacter sp. FRC-32 Geobacter sp. M18 Gloeobacter violaceus PCC 7421 Gluconacetobacter diazotrophicus PAl 5 Gluconobacter oxydans 621H Gramella forsetii KT0803 Granulibacter bethesdensis CGDNIH1 Haemophilus parasuis SH0165 Haemophilus influenzae F3047 Hahella chejuensis KCTC 2396 Haliangium ochraceum DSM 14365 Halorhabdus utahensis DSM 12940 Halorhodospira halophila SL1 Haloterrigena turkmenica DSM 5511 Halothermothrix orenii H 168 Halothiobacillus neapolitanus c2 Helicobacter acinonychis str. Sheeba Helicobacter mustelae 12198 Helicobacter pylori B8 Helicobacter felis ATCC 49179 Helicobacter bizzozeronii CIII-1 Heliobacterium modesticaldum Ice1 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hydrogenobacter thermophilus TK-6 Hyphomonas neptunium ATCC 15444 Idiomarina loihiensis L2TR Ignicoccus hospitalis KIN4/I Ilyobacter polytropus DSM 2926 Isosphaera pallida ATCC 43644 Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Lawsonia intracellularis PHE/MN1-00 Leadbetterella byssophila DSM 17132 Legionella pneumophila subsp. pneumophila str. Philadelphia 1 Legionella pneumophila str. Lens Legionella longbeachae NSW150 Leifsonia xyli subsp. xyli str. CTCB07 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Maricaulis maris MCS10 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methanocaldococcus fervens AG86 Methanocaldococcus vulcanius M7 Methanocaldococcus infernus ME Methanococcus vannielii SB Methanoculleus marisnigri JR1 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Methylocella silvestris BL2 Methylotenera mobilis JLW8 Methylovorus glucosetrophus SIP3-4 Microbacterium testaceum StLB037 Microcystis aeruginosa NIES-843 Natrialba magadii ATCC 43099 Nautilia profundicola AmH Neisseria meningitidis alpha14 Neisseria lactamica 020-06 Neorickettsia sennetsu str. Miyayama Neorickettsia risticii str. Illinois Nitratiruptor sp. SB155-2 Nitrobacter winogradskyi Nb-255 Nitrobacter hamburgensis X14 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nitrosomonas eutropha C91 Nitrosospira multiformis ATCC 25196 Nostoc sp. PCC 7120 Nostoc punctiforme PCC 73102 Novosphingobium aromaticivorans DSM 12444 Bordetella bronchiseptica RB50 Geobacter sulfurreducens PCA Haemophilus ducreyi 35000HP Wigglesworthia glossinidia endosymbiont of Glossina brevipalpis Xanthomonas axonopodis pv. citri str. 306 Leptospira interrogans serovar Lai str. 56601 Nitrosomonas europaea ATCC 19718 Helicobacter hepaticus ATCC 51449 Chromobacterium violaceum ATCC 12472 Bdellovibrio bacteriovorus HD100 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Thermus thermophilus HB27 Sodalis glossinidius str. 'morsitans' Synechococcus sp. JA-2-3B'a(2-13) Syntrophomonas wolfei subsp. wolfei str. Goettingen Magnetococcus sp. MC-1 Candidatus Ruthia magnifica str. Cm (Calyptogena magnifica) Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Leptospira biflexa serovar Patoc strain 'Patoc 1 (Paris)' Elusimicrobium minutum Pei191 Alteromonas macleodii str. 'Deep ecotype' Thermodesulfovibrio yellowstonii DSM 11347 Dictyoglomus thermophilum H-6-12 Gemmatimonas aurantiaca T-27 Thermanaerovibrio acidaminovorans DSM 6589 Deferribacter desulfuricans SSM1 Denitrovibrio acetiphilus DSM 12809 Calditerrivibrio nitroreducens DSM 19672 Thermus scotoductus SA-01 Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Parvibaculum lavamentivorans DS-1 Pasteurella multocida subsp. multocida str. Pm70 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pedobacter heparinus DSM 2366 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Chlorobium luteolum DSM 273 Pelodictyon phaeoclathratiforme BU-1 Persephonella marina EX-H1 Petrotoga mobilis SJ95 Phenylobacterium zucineum HLK1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Pirellula staleyi DSM 6068 Planctomyces limnophilus DSM 3776 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Polynucleobacter necessarius subsp. asymbioticus QLW-P1DMWA-1 Prochlorococcus marinus subsp. marinus str. CCMP1375 Prochlorococcus marinus str. MIT 9313 Prochlorococcus marinus subsp. pastoris str. CCMP1986 Prochlorococcus marinus str. NATL2A Prochlorococcus marinus str. MIT 9312 Prochlorococcus marinus str. AS9601 Prochlorococcus marinus str. MIT 9515 Prochlorococcus marinus str. NATL1A Prochlorococcus marinus str. MIT 9303 Prochlorococcus marinus str. MIT 9301 Prochlorococcus marinus str. MIT 9215 Prochlorococcus marinus str. MIT 9211 Prosthecochloris aestuarii DSM 271 Pseudoalteromonas haloplanktis TAC125 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Psychrobacter arcticus 273-4 Psychrobacter cryohalolentis K5 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopirellula baltica SH 1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Rhodothermus marinus DSM 4252 Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Saccharophagus degradans 2-40 Salinibacter ruber DSM 13855 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Segniliparus rotundus DSM 44985 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingobium japonicum UT26S Sphingomonas wittichii RW1 Sphingopyxis alaskensis RB2256 Spirochaeta thermophila DSM 6192 Streptobacillus moniliformis DSM 12112 Sulfurihydrogenibium azorense Az-Fu1 Sulfurimonas denitrificans DSM 1251 Sulfurimonas autotrophica DSM 16294 Sulfurovum sp. NBC37-1 Synechococcus sp. WH 8102 Synechococcus sp. CC9902 Synechococcus sp. JA-3-3Ab Synechococcus sp. CC9311 Synechococcus sp. WH 7803 Synechococcus sp. RCC307 Synechococcus sp. PCC 7002 Syntrophobacter fumaroxidans MPOB Syntrophus aciditrophicus SB Taylorella equigenitalis MCE9 Teredinibacter turnerae T7901 Thermocrinis albus DSM 14484 Thermomicrobium roseum DSM 5159 Thermoplasma volcanium GSS1 Thermosipho melanesiensis BI429 Thermosipho africanus TCF52B Thermotoga petrophila RKU-1 Thermotoga sp. RQ2 Thermotoga neapolitana DSM 4359 Thioalkalivibrio sp. K90mix Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Treponema brennaborense DSM 12168 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Weeksella virosa DSM 16922 Wolbachia endosymbiont strain TRS of Brugia malayi Wolbachia endosymbiont of Culex quinquefasciatus Pel Wolbachia sp. wRi Xanthobacter autotrophicus Py2 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Xylella fastidiosa 9a5c Xylella fastidiosa Temecula1 Xylella fastidiosa M23 Zunongwangia profunda SM-A87 Zymomonas mobilis subsp. pomaceae ATCC 29192 Sphingobacterium paucimobilis HER1398 Neisseria meningitidis serogroup C Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479 Veillonella seminalis ACS-216-V-Col6b Veillonella sp. 6_1_27
Purine Nucleotides De Novo Biosynthesis		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Escherichia coli CFT073 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Salmonella enterica Shewanella denitrificans OS217 Megamonas hypermegale Pseudomonas fluorescens Pseudomonas putida Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Vibrio vulnificus Corynebacterium diphtheriae Thiobacillus denitrificans Enterobacter cancerogenus Methylibium petroleiphilum Citrobacter youngae Shewanella denitrificans Escherichia albertii Citrobacter koseri ATCC BAA-895 Cronobacter sakazakii ATCC BAA-894 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Escherichia coli 042 Edwardsiella tarda FL6-60 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella flexneri 5 str. 8401 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio mimicus Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Ralstonia eutropha H16 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Candidatus Desulforudis audaxviator MP104C Corynebacterium diphtheriae NCTC 13129 Klebsiella aerogenes KCTC 2190 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Rhodoferax ferrireducens T118 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Herminiimonas arsenicoxydans Klebsiella pneumoniae 342 Marinobacter aquaeolei VT8 Methylibium petroleiphilum PM1 Methylotenera mobilis JLW8 Chromobacterium violaceum ATCC 12472 Pantoea ananatis LMG 20103 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photobacterium profundum SS9 Polaromonas sp. JS666 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Salmonella enterica subsp. enterica serovar Paratyphi A str. Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shigella flexneri 2a str. 301 Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25
Purine Nucleotides De Novo Biosynthesis 2

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018512	L-Aspartic acid	SAICAR	Phosphoribosylaminoimidazole-succinocarboxamide synthase	Synthesis	PathBank	31602464
MMDBr0018513	SAICAR	Fumaric acid	Adenylosuccinate lyase	Non-hydrolytic bond cleavage (or its reversal)	PathBank	31602464
MMDBr0019842	L-Aspartic acid	SAICAR	Unknown Protein		PathBank	31602464
MMDBr0019843	SAICAR	Fumaric acid	Unknown Protein		PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Adenylosuccinate lyase deficiency		Association	Human Cerebrospinal Fluid (CSF)	HMDB	15571235
Fumarase deficiency		Association	Human Urine	HMDB	24182348

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	388	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	181	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	128	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	2	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified								HMDB
Human Cerebrospinal fluid (csf)	Detected and Quantified	921.0	0.0	1842.0	uM	Adult (>18 years old)	Not Specified	Adenylosuccinate lyase deficiency	HMDB	15571235
Human Urine	Detected and Quantified	<0.300			umol/mmol creatinine	Infant (0-1 year old)	Male	Fumarase deficiency	HMDB	24182348
Human Cerebrospinal fluid (csf)	Detected and Quantified	0			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	15114530
Human Urine	Detected and Quantified	<1			umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	HMDB	24182348
Human Fibroblasts	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Blood	Detected but not Quantified								HMDB

External Links

HMDB ID

HMDB0000797

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022251

KNApSAcK ID

Not Available

Chemspider ID

141175

KEGG Compound ID

C04823

BioCyc ID

P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE

BiGG ID

44624

Wikipedia Link

Phosphoribosylaminoimidazolesuccinocarboxamide

METLIN ID

5762

PubChem Compound

160666

PDB ID

Not Available

ChEBI ID

18319

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Laikind PK, Seegmiller JE, Gruber HE: Detection of 5'-phosphoribosyl-4-(N-succinylcarboxamide)-5-aminoimidazole in urine by use of the Bratton-Marshall reaction: identification of patients deficient in adenylosuccinate lyase activity. Anal Biochem. 1986 Jul;156(1):81-90. doi: 10.1016/0003-2697(86)90158-2. [PubMed:3740420 ]
Wevers RA, Engelke UF, Moolenaar SH, Brautigam C, de Jong JG, Duran R, de Abreu RA, van Gennip AH: 1H-NMR spectroscopy of body fluids: inborn errors of purine and pyrimidine metabolism. Clin Chem. 1999 Apr;45(4):539-48. [PubMed:10102915 ]
Kmoch S, Hartmannova H, Stiburkova B, Krijt J, Zikanova M, Sebesta I: Human adenylosuccinate lyase (ADSL), cloning and characterization of full-length cDNA and its isoform, gene structure and molecular basis for ADSL deficiency in six patients. Hum Mol Genet. 2000 Jun 12;9(10):1501-13. doi: 10.1093/hmg/9.10.1501. [PubMed:10888601 ]
Race V, Marie S, Vincent MF, Van den Berghe G: Clinical, biochemical and molecular genetic correlations in adenylosuccinate lyase deficiency. Hum Mol Genet. 2000 Sep 1;9(14):2159-65. doi: 10.1093/hmg/9.14.2159. [PubMed:10958654 ]
Marinaki AM, Champion M, Kurian MA, Simmonds HA, Marie S, Vincent MF, van den Berghe G, Duley JA, Fairbanks LD: Adenylosuccinate lyase deficiency--first British case. Nucleosides Nucleotides Nucleic Acids. 2004 Oct;23(8-9):1231-3. doi: 10.1081/NCN-200027494. [PubMed:15571235 ]
Zikanova M, Krijt J, Hartmannova H, Kmoch S: Preparation of 5-amino-4-imidazole-N-succinocarboxamide ribotide, 5-amino-4-imidazole-N-succinocarboxamide riboside and succinyladenosine, compounds usable in diagnosis and research of adenylosuccinate lyase deficiency. J Inherit Metab Dis. 2005;28(4):493-9. doi: 10.1007/s10545-005-0493-z. [PubMed:15902552 ]
Keller KE, Tan IS, Lee YS: SAICAR stimulates pyruvate kinase isoform M2 and promotes cancer cell survival in glucose-limited conditions. Science. 2012 Nov 23;338(6110):1069-72. doi: 10.1126/science.1224409. Epub 2012 Oct 18. [PubMed:23086999 ]

Showing metabocard for SAICAR (MMDBc0029510)

MOL for #<Metabolite:0x00007f2e2c31b710>

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Structure for #<Metabolite:0x00007f2e2c31b710>

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