MiMeDB: Showing metabocard for Xanthosine 5-triphosphate (MMDBc0029493)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:24:31 UTC

Update Date

2024-04-30 19:36:08 UTC

Metabolite ID

MMDBc0029493

Metabolite Identification

Common Name

Xanthosine 5-triphosphate

Description

Xanthosine 5-triphosphate (XTP) is a Guanosine triphosphate (GTP) analogue. The base of XTP, xanthine, bears a keto group instead of an amino group at C2 of the purine rings. XTP can substitute for GTP in supporting receptor-mediated adenylyl cyclase activation. Xanthosine 5-triphosphate is an intermediate of the Purine metabolism pathway, a substrate of the enzymes dinucleoside tetraphosphatase (EC 3.6.1.17) and nucleoside-triphosphate pyrophosphatase (EC 3.6.1.19). It is also a substrate for Xanthine triphosphatase, which is a phosphatase that hydrolyzes non-canonical purine nucleotides such as XTP and ITP to their respective diphosphate derivatives.

Structure

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

Xanthosine dihydrate.mol
  Mrv0541 02231218262D          

 32 34  0  0  0  0            999 V2000
    1.4441   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.9952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4045   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8894   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9054   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -0.9952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0080   -0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4601   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775    0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243   -1.1101    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    1.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.2701    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.6504    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378    2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    1.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 12 19  2  0  0  0  0
  9 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  1 22  1  0  0  0  0
M  END

HMDB0000293
     RDKit          3D
Xanthosine 5-triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9252   -1.0605   -0.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1302   -0.5958    0.5540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.6278   -1.9017    1.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4329    0.5125    0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7365    0.1348    1.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948    0.7937   -0.0829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.9308   -0.0995   -1.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    2.3158   -0.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.9961    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911    1.0181   -0.9711 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9563    0.3134   -2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    2.5991   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.1667   -0.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673    0.9823   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218    0.0731   -0.3144 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6967    0.8165   -0.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -0.2084    0.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8965    0.2807    0.5662 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    1.2850    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5083    1.4441    1.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    0.5301    0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351    0.2649    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    0.9756    1.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392   -0.7355   -0.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571   -1.4694   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0340   -2.5106   -1.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4650   -1.1902   -0.6798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877   -0.1919    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127   -0.9968    1.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1841   -2.3469    1.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320   -0.6988    0.9940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2866   -1.8445    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0031   -2.6603    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3144    1.1806   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051    3.0524   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863    2.6874   -2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    1.5659    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    1.6661   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.6291   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753   -0.8106   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4662    1.9053    1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453    0.7347    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -2.6500   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178   -0.6841    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -2.8822    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.0724    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3072   -2.0560   -0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 17 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 15  1  0
 28 18  1  0
 28 21  1  0
  3 33  1  0
  4 34  1  0
  8 35  1  0
 12 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  6
 17 40  1  6
 19 41  1  0
 23 42  1  0
 26 43  1  0
 29 44  1  1
 30 45  1  0
 31 46  1  1
 32 47  1  0
M  END

Xanthosine dihydrate.mol
  Mrv0541 02231218262D          

 32 34  0  0  0  0            999 V2000
    1.4441   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.9952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4045   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8894   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9054   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -0.9952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0080   -0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4601   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775    0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243   -1.1101    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    1.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.2701    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.6504    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378    2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    1.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 12 19  2  0  0  0  0
  9 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029493

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1

> <INCHI_KEY>
CAEFEWVYEZABLA-UUOKFMHZSA-N

> <FORMULA>
C10H15N4O15P3

> <MOLECULAR_WEIGHT>
524.1652

> <EXACT_MASS>
523.974675366

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
39.110572741633405

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.45

> <JCHEM_LOGP>
-4.084659859164519

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5001185652499767

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9553097133699824

> <JCHEM_PKA_STRONGEST_BASIC>
0.016352817248879492

> <JCHEM_POLAR_SURFACE_AREA>
293.56999999999994

> <JCHEM_REFRACTIVITY>
95.02169999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
xanthosine 5-triphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000293
     RDKit          3D
Xanthosine 5-triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9252   -1.0605   -0.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1302   -0.5958    0.5540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.6278   -1.9017    1.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4329    0.5125    0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7365    0.1348    1.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948    0.7937   -0.0829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.9308   -0.0995   -1.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    2.3158   -0.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.9961    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911    1.0181   -0.9711 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9563    0.3134   -2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    2.5991   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.1667   -0.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673    0.9823   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218    0.0731   -0.3144 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6967    0.8165   -0.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -0.2084    0.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8965    0.2807    0.5662 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    1.2850    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5083    1.4441    1.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    0.5301    0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351    0.2649    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    0.9756    1.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392   -0.7355   -0.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571   -1.4694   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0340   -2.5106   -1.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4650   -1.1902   -0.6798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877   -0.1919    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127   -0.9968    1.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1841   -2.3469    1.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320   -0.6988    0.9940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2866   -1.8445    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0031   -2.6603    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3144    1.1806   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051    3.0524   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863    2.6874   -2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    1.5659    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    1.6661   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.6291   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753   -0.8106   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4662    1.9053    1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453    0.7347    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -2.6500   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178   -0.6841    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -2.8822    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.0724    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3072   -2.0560   -0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 17 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 15  1  0
 28 18  1  0
 28 21  1  0
  3 33  1  0
  4 34  1  0
  8 35  1  0
 12 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  6
 17 40  1  6
 19 41  1  0
 23 42  1  0
 26 43  1  0
 29 44  1  1
 30 45  1  0
 31 46  1  1
 32 47  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Xanthosine dihydrate.mol                          
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       2.696  -1.382   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.231  -1.858   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.755  -3.322   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.660  -4.568   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.785  -3.322   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.690  -4.568   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.261  -1.858   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.015  -0.953   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -2.726  -1.382   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -3.971  -2.287   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -5.217  -1.382   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -4.741   0.083   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.511   1.416   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -7.051   1.416   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      -4.741   2.750   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -3.201   2.750   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.431   4.084   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      -2.431   1.416   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -3.201   0.083   0.000  0.00  0.00           C+0
HETATM   20  P   UNK     0       5.272  -2.072   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0       6.760  -1.674   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.784  -2.471   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       3.784   3.479   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.671  -3.560   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.873  -0.585   0.000  0.00  0.00           O+0
HETATM   26  P   UNK     0       5.962   0.504   0.000  0.00  0.00           P+0
HETATM   27  O   UNK     0       7.051   1.593   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       7.051  -0.585   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.873   1.593   0.000  0.00  0.00           O+0
HETATM   30  P   UNK     0       5.272   3.081   0.000  0.00  0.00           P+0
HETATM   31  O   UNK     0       5.671   4.568   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.760   2.682   0.000  0.00  0.00           O+0
CONECT    1    2   22                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10   19                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   12    9                                                  
CONECT   20   21   22   24   25                                             
CONECT   21   20                                                            
CONECT   22   20    1                                                       
CONECT   23   30                                                            
CONECT   24   20                                                            
CONECT   25   20   26                                                       
CONECT   26   25   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26   30                                                       
CONECT   30   29   23   31   32                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END

COMPND    HMDB0000293
HETATM    1  O1  UNL     1      -7.925  -1.060  -0.879  1.00  0.00           O  
HETATM    2  P1  UNL     1      -8.130  -0.596   0.554  1.00  0.00           P  
HETATM    3  O2  UNL     1      -8.628  -1.902   1.490  1.00  0.00           O  
HETATM    4  O3  UNL     1      -9.433   0.513   0.525  1.00  0.00           O  
HETATM    5  O4  UNL     1      -6.737   0.135   1.157  1.00  0.00           O  
HETATM    6  P2  UNL     1      -5.795   0.794  -0.083  1.00  0.00           P  
HETATM    7  O5  UNL     1      -5.931  -0.099  -1.294  1.00  0.00           O  
HETATM    8  O6  UNL     1      -6.450   2.316  -0.446  1.00  0.00           O  
HETATM    9  O7  UNL     1      -4.197   0.996   0.387  1.00  0.00           O  
HETATM   10  P3  UNL     1      -3.191   1.018  -0.971  1.00  0.00           P  
HETATM   11  O8  UNL     1      -3.956   0.313  -2.094  1.00  0.00           O  
HETATM   12  O9  UNL     1      -2.919   2.599  -1.510  1.00  0.00           O  
HETATM   13  O10 UNL     1      -1.775   0.167  -0.728  1.00  0.00           O  
HETATM   14  C1  UNL     1      -0.667   0.982  -0.516  1.00  0.00           C  
HETATM   15  C2  UNL     1       0.522   0.073  -0.314  1.00  0.00           C  
HETATM   16  O11 UNL     1       1.697   0.817  -0.092  1.00  0.00           O  
HETATM   17  C3  UNL     1       2.602  -0.208   0.170  1.00  0.00           C  
HETATM   18  N1  UNL     1       3.897   0.281   0.566  1.00  0.00           N  
HETATM   19  C4  UNL     1       4.174   1.285   1.404  1.00  0.00           C  
HETATM   20  N2  UNL     1       5.508   1.444   1.524  1.00  0.00           N  
HETATM   21  C5  UNL     1       6.106   0.530   0.753  1.00  0.00           C  
HETATM   22  C6  UNL     1       7.435   0.265   0.518  1.00  0.00           C  
HETATM   23  O12 UNL     1       8.463   0.976   1.103  1.00  0.00           O  
HETATM   24  N3  UNL     1       7.739  -0.736  -0.322  1.00  0.00           N  
HETATM   25  C7  UNL     1       6.757  -1.469  -0.926  1.00  0.00           C  
HETATM   26  O13 UNL     1       7.034  -2.511  -1.800  1.00  0.00           O  
HETATM   27  N4  UNL     1       5.465  -1.190  -0.680  1.00  0.00           N  
HETATM   28  C8  UNL     1       5.088  -0.192   0.159  1.00  0.00           C  
HETATM   29  C9  UNL     1       1.913  -0.997   1.263  1.00  0.00           C  
HETATM   30  O14 UNL     1       2.184  -2.347   1.023  1.00  0.00           O  
HETATM   31  C10 UNL     1       0.432  -0.699   0.994  1.00  0.00           C  
HETATM   32  O15 UNL     1      -0.287  -1.845   0.746  1.00  0.00           O  
HETATM   33  H1  UNL     1      -8.003  -2.660   1.476  1.00  0.00           H  
HETATM   34  H2  UNL     1      -9.314   1.181  -0.180  1.00  0.00           H  
HETATM   35  H3  UNL     1      -5.805   3.052  -0.270  1.00  0.00           H  
HETATM   36  H4  UNL     1      -2.086   2.687  -2.011  1.00  0.00           H  
HETATM   37  H5  UNL     1      -0.777   1.566   0.442  1.00  0.00           H  
HETATM   38  H6  UNL     1      -0.453   1.666  -1.340  1.00  0.00           H  
HETATM   39  H7  UNL     1       0.679  -0.629  -1.146  1.00  0.00           H  
HETATM   40  H8  UNL     1       2.675  -0.811  -0.769  1.00  0.00           H  
HETATM   41  H9  UNL     1       3.466   1.905   1.930  1.00  0.00           H  
HETATM   42  H10 UNL     1       8.845   0.735   2.024  1.00  0.00           H  
HETATM   43  H11 UNL     1       6.473  -2.650  -2.654  1.00  0.00           H  
HETATM   44  H12 UNL     1       2.218  -0.684   2.269  1.00  0.00           H  
HETATM   45  H13 UNL     1       1.373  -2.882   1.217  1.00  0.00           H  
HETATM   46  H14 UNL     1       0.021  -0.072   1.792  1.00  0.00           H  
HETATM   47  H15 UNL     1      -0.307  -2.056  -0.235  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   33
CONECT    4   34
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   35
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   36
CONECT   13   14
CONECT   14   15   37   38
CONECT   15   16   31   39
CONECT   16   17
CONECT   17   18   29   40
CONECT   18   19   28
CONECT   19   20   20   41
CONECT   20   21
CONECT   21   22   22   28
CONECT   22   23   24
CONECT   23   42
CONECT   24   25   25
CONECT   25   26   27
CONECT   26   43
CONECT   27   28   28
CONECT   29   30   31   44
CONECT   30   45
CONECT   31   32   46
CONECT   32   47
END

HMDB0000293
     RDKit          3D
Xanthosine 5-triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9252   -1.0605   -0.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1302   -0.5958    0.5540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.6278   -1.9017    1.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4329    0.5125    0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7365    0.1348    1.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948    0.7937   -0.0829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.9308   -0.0995   -1.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    2.3158   -0.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.9961    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911    1.0181   -0.9711 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9563    0.3134   -2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    2.5991   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.1667   -0.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673    0.9823   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218    0.0731   -0.3144 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6967    0.8165   -0.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -0.2084    0.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8965    0.2807    0.5662 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    1.2850    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5083    1.4441    1.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    0.5301    0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351    0.2649    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    0.9756    1.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392   -0.7355   -0.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571   -1.4694   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0340   -2.5106   -1.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4650   -1.1902   -0.6798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877   -0.1919    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127   -0.9968    1.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1841   -2.3469    1.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320   -0.6988    0.9940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2866   -1.8445    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0031   -2.6603    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3144    1.1806   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051    3.0524   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863    2.6874   -2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    1.5659    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    1.6661   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.6291   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753   -0.8106   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4662    1.9053    1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453    0.7347    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -2.6500   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178   -0.6841    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -2.8822    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.0724    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3072   -2.0560   -0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 17 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 15  1  0
 28 18  1  0
 28 21  1  0
  3 33  1  0
  4 34  1  0
  8 35  1  0
 12 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  6
 17 40  1  6
 19 41  1  0
 23 42  1  0
 26 43  1  0
 29 44  1  1
 30 45  1  0
 31 46  1  1
 32 47  1  0
M  END

Synonyms

Value	Source
O(5')-(Tetrahydroxytriphosphoryl)xanthosine	ChEBI
Triphopsphoric acid 1-xanthosin-5'-yl ester	ChEBI
Xanthosine 5'-triphosphate	ChEBI
Xanthosine triphosphate	ChEBI
Triphopsphate 1-xanthosin-5'-yl ester	Generator
Triphopsphic acid 1-xanthosin-5'-yl ester	Generator
Xanthosine 5'-triphosphoric acid	Generator
Xanthosine triphosphoric acid	Generator
Xanthosine 5-triphosphoric acid	Generator
5'-XTP	HMDB
Xanthosine mono(tetrahydrogen triphosphate)	HMDB
XTP	HMDB
Xanthosine 5'-triphosphate 2Sodium salt	HMDB

Molecular Formula

C₁₀H₁₅N₄O₁₅P₃

Average Mass

524.1652

Monoisotopic Mass

523.974675366

IUPAC Name

({[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

xanthosine 5-triphosphate

CAS Registry Number

6253-56-1

SMILES

O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O

InChI Identifier

InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1

InChI Key

CAEFEWVYEZABLA-UUOKFMHZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside triphosphates

Alternative Parents

Substituents

Purine ribonucleoside triphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Xanthine
Monosaccharide phosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Alkaloid or derivatives
Monoalkyl phosphate
Hydroxypyrimidine
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Tetrahydrofuran
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
1,2-diol
Organoheterocyclic compound
Azacycle
Oxacycle
Organopnictogen compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Alcohol
Organic oxide
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

xanthosine 5'-phosphate (CHEBI:10049 )
purine ribonucleoside 5'-triphosphate (CHEBI:10049 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.04 g/L	ALOGPS
logP	-0.45	ALOGPS
logP	-4.1	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	0.96	ChemAxon
pKa (Strongest Basic)	0.016	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	293.57 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	95.02 m³·mol⁻¹	ChemAxon
Polarizability	39.11 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a6s-8956230000-c953b27fc23e558f8bc3	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0fmi-3120921000-30ff3765201db0daec17	2017-10-06	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_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 GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0911220000-7c9e13bd8e928a2e5785	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-840c07c15dbc79ad0f2e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-1900000000-bd6b424553d786306979	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0kor-1830690000-f39abfd999faa04d6195	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0kbf-9620000000-5b4fb80ecb79a0415518	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-056r-9710000000-ed7594e6df7e2139120b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0900010000-34d38de7734016d84840	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-80965add49e2ab233b2c	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0uxr-0982000000-f089c3e029edf74721dc	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0000190000-79bde14d72b9665fa816	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9710120000-bccf656c48d8b7c059fa	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9200100000-d64535400bb7e16803e7	2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	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	728.9
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (retained)	2025-10-23	551.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	96.0
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	316.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	362.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	273.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	685.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	873.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	1130.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	149.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	383.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	168.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	19.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	601.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	879.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	91.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	287.8
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	736.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	603.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Xanthosine 5-triphosphate_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	2473.14
Gas Chromatography	Xanthosine 5-triphosphate_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	1811.88
Gas Chromatography	Xanthosine 5-triphosphate_TMS_3	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1710.22
Gas Chromatography	Xanthosine 5-triphosphate_TMS_4	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2318.95
Gas Chromatography	Xanthosine 5-triphosphate_TMS_5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O	standard non polar	2025-10-23	2017.12
Gas Chromatography	Xanthosine 5-triphosphate_TMS_6	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	2000.58
Gas Chromatography	Xanthosine 5-triphosphate_TMS_7	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1659.51
Gas Chromatography	Xanthosine 5-triphosphate_TMS_8	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1176.6
Gas Chromatography	Xanthosine 5-triphosphate_TMS_9	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	2391.53
Gas Chromatography	Xanthosine 5-triphosphate_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1251.45
Gas Chromatography	Xanthosine 5-triphosphate_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	477.972
Gas Chromatography	Xanthosine 5-triphosphate_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	1515.56
Gas Chromatography	Xanthosine 5-triphosphate_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	1327.36
Gas Chromatography	Xanthosine 5-triphosphate_TMS_14	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1860.36
Gas Chromatography	Xanthosine 5-triphosphate_TMS_15	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2817.94
Gas Chromatography	Xanthosine 5-triphosphate_TMS_16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2156.36
Gas Chromatography	Xanthosine 5-triphosphate_TMS_17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2169.85
Gas Chromatography	Xanthosine 5-triphosphate_TMS_18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	1835.72
Gas Chromatography	Xanthosine 5-triphosphate_TMS_19	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2014.45
Gas Chromatography	Xanthosine 5-triphosphate_TMS_20	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2678.69
Gas Chromatography	Xanthosine 5-triphosphate_TMS_21	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	700.591
Gas Chromatography	Xanthosine 5-triphosphate_TMS_22	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2915.55
Gas Chromatography	Xanthosine 5-triphosphate_TMS_23	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2035.83
Gas Chromatography	Xanthosine 5-triphosphate_TMS_24	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2210.39
Gas Chromatography	Xanthosine 5-triphosphate_TMS_25	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1833.44
Gas Chromatography	Xanthosine 5-triphosphate_TMS_26	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard non polar	2025-10-23	1734.57
Gas Chromatography	Xanthosine 5-triphosphate_TMS_27	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1990.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_28	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1777.25
Gas Chromatography	Xanthosine 5-triphosphate_TMS_29	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1494.92
Gas Chromatography	Xanthosine 5-triphosphate_TMS_30	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	2157.35
Gas Chromatography	Xanthosine 5-triphosphate_TMS_31	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2221.42
Gas Chromatography	Xanthosine 5-triphosphate_TMS_32	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2624.32
Gas Chromatography	Xanthosine 5-triphosphate_TMS_33	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2114.63
Gas Chromatography	Xanthosine 5-triphosphate_TMS_34	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2067.78
Gas Chromatography	Xanthosine 5-triphosphate_TMS_35	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1332.45
Gas Chromatography	Xanthosine 5-triphosphate_TMS_36	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1037.68
Gas Chromatography	Xanthosine 5-triphosphate_TMS_37	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1427.11
Gas Chromatography	Xanthosine 5-triphosphate_TMS_38	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	2864.98
Gas Chromatography	Xanthosine 5-triphosphate_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1186.03
Gas Chromatography	Xanthosine 5-triphosphate_TMS_40	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1701.61
Gas Chromatography	Xanthosine 5-triphosphate_TMS_41	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1428.54
Gas Chromatography	Xanthosine 5-triphosphate_TMS_42	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	2589.76
Gas Chromatography	Xanthosine 5-triphosphate_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	1550.08
Gas Chromatography	Xanthosine 5-triphosphate_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	1282.39
Gas Chromatography	Xanthosine 5-triphosphate_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	1289.3
Gas Chromatography	Xanthosine 5-triphosphate_TMS_46	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1311.19
Gas Chromatography	Xanthosine 5-triphosphate_TMS_47	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2525.92
Gas Chromatography	Xanthosine 5-triphosphate_TMS_48	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2113.9
Gas Chromatography	Xanthosine 5-triphosphate_TMS_49	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1899.84
Gas Chromatography	Xanthosine 5-triphosphate_TMS_50	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1789.94
Gas Chromatography	Xanthosine 5-triphosphate_TMS_51	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1915.69
Gas Chromatography	Xanthosine 5-triphosphate_TMS_52	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2238.59
Gas Chromatography	Xanthosine 5-triphosphate_TMS_53	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2227.2
Gas Chromatography	Xanthosine 5-triphosphate_TMS_54	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	1159.93
Gas Chromatography	Xanthosine 5-triphosphate_TMS_55	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2024.34
Gas Chromatography	Xanthosine 5-triphosphate_TMS_56	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2251.48
Gas Chromatography	Xanthosine 5-triphosphate_TMS_57	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2256.79
Gas Chromatography	Xanthosine 5-triphosphate_TMS_58	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1304.12
Gas Chromatography	Xanthosine 5-triphosphate_TMS_59	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1974.08
Gas Chromatography	Xanthosine 5-triphosphate_TMS_60	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1885.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_61	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1795.29
Gas Chromatography	Xanthosine 5-triphosphate_TMS_62	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2123.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_63	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2005.66
Gas Chromatography	Xanthosine 5-triphosphate_TMS_64	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1899.93
Gas Chromatography	Xanthosine 5-triphosphate_TMS_65	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1932.35
Gas Chromatography	Xanthosine 5-triphosphate_TMS_66	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2320.19
Gas Chromatography	Xanthosine 5-triphosphate_TMS_67	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2187.0
Gas Chromatography	Xanthosine 5-triphosphate_TMS_68	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	2275.84
Gas Chromatography	Xanthosine 5-triphosphate_TMS_69	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1341.46
Gas Chromatography	Xanthosine 5-triphosphate_TMS_70	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	752.469
Gas Chromatography	Xanthosine 5-triphosphate_TMS_71	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2154.31
Gas Chromatography	Xanthosine 5-triphosphate_TMS_72	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1798.01
Gas Chromatography	Xanthosine 5-triphosphate_TMS_73	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	698.196
Gas Chromatography	Xanthosine 5-triphosphate_TMS_74	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	997.057
Gas Chromatography	Xanthosine 5-triphosphate_TMS_75	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	-117.722
Gas Chromatography	Xanthosine 5-triphosphate_TMS_76	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2440.0
Gas Chromatography	Xanthosine 5-triphosphate_TMS_77	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	2144.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_78	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1717.11
Gas Chromatography	Xanthosine 5-triphosphate_TMS_79	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1378.81
Gas Chromatography	Xanthosine 5-triphosphate_TMS_80	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1216.46
Gas Chromatography	Xanthosine 5-triphosphate_TMS_81	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	2297.36
Gas Chromatography	Xanthosine 5-triphosphate_TMS_82	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1658.0
Gas Chromatography	Xanthosine 5-triphosphate_TMS_83	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2135.03
Gas Chromatography	Xanthosine 5-triphosphate_TMS_84	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1727.74
Gas Chromatography	Xanthosine 5-triphosphate_TMS_85	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1948.18
Gas Chromatography	Xanthosine 5-triphosphate_TMS_86	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	2343.99
Gas Chromatography	Xanthosine 5-triphosphate_TMS_87	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	2999.39
Gas Chromatography	Xanthosine 5-triphosphate_TMS_88	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1001.85
Gas Chromatography	Xanthosine 5-triphosphate_TMS_89	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	763.854
Gas Chromatography	Xanthosine 5-triphosphate_TMS_90	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	939.523
Gas Chromatography	Xanthosine 5-triphosphate_TMS_91	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1553.82
Gas Chromatography	Xanthosine 5-triphosphate_TMS_92	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2193.01
Gas Chromatography	Xanthosine 5-triphosphate_TMS_93	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	3377.23
Gas Chromatography	Xanthosine 5-triphosphate_TMS_94	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	2244.8
Gas Chromatography	Xanthosine 5-triphosphate_TMS_95	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	938.385
Gas Chromatography	Xanthosine 5-triphosphate_TMS_96	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2037.08
Gas Chromatography	Xanthosine 5-triphosphate_TMS_97	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	3176.42
Gas Chromatography	Xanthosine 5-triphosphate_TMS_98	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	3059.26
Gas Chromatography	Xanthosine 5-triphosphate_TMS_99	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1969.27
Gas Chromatography	Xanthosine 5-triphosphate_TMS_100	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2714.16
Gas Chromatography	Xanthosine 5-triphosphate_TMS_101	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1223.77
Gas Chromatography	Xanthosine 5-triphosphate_TMS_102	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	2815.49
Gas Chromatography	Xanthosine 5-triphosphate_TMS_103	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2464.2
Gas Chromatography	Xanthosine 5-triphosphate_TMS_104	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1199.08
Gas Chromatography	Xanthosine 5-triphosphate_TMS_105	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	3123.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_106	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	4332.57
Gas Chromatography	Xanthosine 5-triphosphate_TMS_107	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	1654.69
Gas Chromatography	Xanthosine 5-triphosphate_TMS_108	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2392.14
Gas Chromatography	Xanthosine 5-triphosphate_TMS_109	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2573.63
Gas Chromatography	Xanthosine 5-triphosphate_TMS_110	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2601.72
Gas Chromatography	Xanthosine 5-triphosphate_TMS_111	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1619.78
Gas Chromatography	Xanthosine 5-triphosphate_TMS_112	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1481.07
Gas Chromatography	Xanthosine 5-triphosphate_TMS_113	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1989.86
Gas Chromatography	Xanthosine 5-triphosphate_TMS_114	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2105.99
Gas Chromatography	Xanthosine 5-triphosphate_TMS_115	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2321.41
Gas Chromatography	Xanthosine 5-triphosphate_TMS_116	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2070.59
Gas Chromatography	Xanthosine 5-triphosphate_TMS_117	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1742.84
Gas Chromatography	Xanthosine 5-triphosphate_TMS_118	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2948.12
Gas Chromatography	Xanthosine 5-triphosphate_TMS_119	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	3139.91
Gas Chromatography	Xanthosine 5-triphosphate_TMS_120	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2361.09
Gas Chromatography	Xanthosine 5-triphosphate_TMS_121	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	761.35
Gas Chromatography	Xanthosine 5-triphosphate_TMS_122	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1048.8
Gas Chromatography	Xanthosine 5-triphosphate_TMS_123	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2719.19
Gas Chromatography	Xanthosine 5-triphosphate_TMS_124	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	833.253
Gas Chromatography	Xanthosine 5-triphosphate_TMS_125	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1250.22
Gas Chromatography	Xanthosine 5-triphosphate_TMS_126	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1453.55
Gas Chromatography	Xanthosine 5-triphosphate_TMS_127	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	3439.31
Gas Chromatography	Xanthosine 5-triphosphate_TMS_128	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	789.983
Gas Chromatography	Xanthosine 5-triphosphate_TMS_129	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	1240.18
Gas Chromatography	Xanthosine 5-triphosphate_TMS_130	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	1904.73
Gas Chromatography	Xanthosine 5-triphosphate_TMS_131	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	1680.8
Gas Chromatography	Xanthosine 5-triphosphate_TMS_132	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	832.069
Gas Chromatography	Xanthosine 5-triphosphate_TMS_133	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	2205.96
Gas Chromatography	Xanthosine 5-triphosphate_TMS_134	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	2939.49
Gas Chromatography	Xanthosine 5-triphosphate_TMS_135	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	3090.56
Gas Chromatography	Xanthosine 5-triphosphate_TMS_136	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2758.18
Gas Chromatography	Xanthosine 5-triphosphate_TMS_137	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2363.15
Gas Chromatography	Xanthosine 5-triphosphate_TMS_138	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2035.48
Gas Chromatography	Xanthosine 5-triphosphate_TMS_139	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1789.15
Gas Chromatography	Xanthosine 5-triphosphate_TMS_140	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	1297.2
Gas Chromatography	Xanthosine 5-triphosphate_TMS_141	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-23	2798.85
Gas Chromatography	Xanthosine 5-triphosphate_TMS_142	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1626.56
Gas Chromatography	Xanthosine 5-triphosphate_TMS_143	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2179.32
Gas Chromatography	Xanthosine 5-triphosphate_TMS_144	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2114.78
Gas Chromatography	Xanthosine 5-triphosphate_TMS_145	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard non polar	2025-10-23	1387.86
Gas Chromatography	Xanthosine 5-triphosphate_TMS_146	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1494.18
Gas Chromatography	Xanthosine 5-triphosphate_TMS_147	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	3257.64
Gas Chromatography	Xanthosine 5-triphosphate_TMS_148	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1542.9
Gas Chromatography	Xanthosine 5-triphosphate_TMS_149	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2277.76
Gas Chromatography	Xanthosine 5-triphosphate_TMS_150	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2261.85
Gas Chromatography	Xanthosine 5-triphosphate_TMS_151	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	1276.14
Gas Chromatography	Xanthosine 5-triphosphate_TMS_152	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	1309.37
Gas Chromatography	Xanthosine 5-triphosphate_TMS_153	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	3528.92
Gas Chromatography	Xanthosine 5-triphosphate_TMS_154	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2278.21
Gas Chromatography	Xanthosine 5-triphosphate_TMS_155	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1405.92
Gas Chromatography	Xanthosine 5-triphosphate_TMS_156	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2823.81
Gas Chromatography	Xanthosine 5-triphosphate_TMS_157	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	854.96
Gas Chromatography	Xanthosine 5-triphosphate_TMS_158	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	16.7741
Gas Chromatography	Xanthosine 5-triphosphate_TMS_159	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	1262.67
Gas Chromatography	Xanthosine 5-triphosphate_TMS_160	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-23	2672.23
Gas Chromatography	Xanthosine 5-triphosphate_TMS_161	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2680.38
Gas Chromatography	Xanthosine 5-triphosphate_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	1828.5
Gas Chromatography	Xanthosine 5-triphosphate_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	1898.94
Gas Chromatography	Xanthosine 5-triphosphate_TMS_3	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1906.11
Gas Chromatography	Xanthosine 5-triphosphate_TMS_4	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1164.07
Gas Chromatography	Xanthosine 5-triphosphate_TMS_5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O	standard polar	2025-10-23	1539.11
Gas Chromatography	Xanthosine 5-triphosphate_TMS_6	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1953.58
Gas Chromatography	Xanthosine 5-triphosphate_TMS_7	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2543.83
Gas Chromatography	Xanthosine 5-triphosphate_TMS_8	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2504.82
Gas Chromatography	Xanthosine 5-triphosphate_TMS_9	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1544.67
Gas Chromatography	Xanthosine 5-triphosphate_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1604.8
Gas Chromatography	Xanthosine 5-triphosphate_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	1688.58
Gas Chromatography	Xanthosine 5-triphosphate_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	1590.01
Gas Chromatography	Xanthosine 5-triphosphate_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	1829.62
Gas Chromatography	Xanthosine 5-triphosphate_TMS_14	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1764.67
Gas Chromatography	Xanthosine 5-triphosphate_TMS_15	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2469.23
Gas Chromatography	Xanthosine 5-triphosphate_TMS_16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	1883.72
Gas Chromatography	Xanthosine 5-triphosphate_TMS_17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2248.01
Gas Chromatography	Xanthosine 5-triphosphate_TMS_18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2368.2
Gas Chromatography	Xanthosine 5-triphosphate_TMS_19	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2271.32
Gas Chromatography	Xanthosine 5-triphosphate_TMS_20	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2587.54
Gas Chromatography	Xanthosine 5-triphosphate_TMS_21	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1610.92
Gas Chromatography	Xanthosine 5-triphosphate_TMS_22	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1150.35
Gas Chromatography	Xanthosine 5-triphosphate_TMS_23	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2752.58
Gas Chromatography	Xanthosine 5-triphosphate_TMS_24	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2145.39
Gas Chromatography	Xanthosine 5-triphosphate_TMS_25	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2266.31
Gas Chromatography	Xanthosine 5-triphosphate_TMS_26	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard polar	2025-10-23	2575.33
Gas Chromatography	Xanthosine 5-triphosphate_TMS_27	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	1650.54
Gas Chromatography	Xanthosine 5-triphosphate_TMS_28	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2165.63
Gas Chromatography	Xanthosine 5-triphosphate_TMS_29	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1974.74
Gas Chromatography	Xanthosine 5-triphosphate_TMS_30	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1945.6
Gas Chromatography	Xanthosine 5-triphosphate_TMS_31	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1454.89
Gas Chromatography	Xanthosine 5-triphosphate_TMS_32	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1910.49
Gas Chromatography	Xanthosine 5-triphosphate_TMS_33	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1029.74
Gas Chromatography	Xanthosine 5-triphosphate_TMS_34	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1752.34
Gas Chromatography	Xanthosine 5-triphosphate_TMS_35	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1887.03
Gas Chromatography	Xanthosine 5-triphosphate_TMS_36	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2221.71
Gas Chromatography	Xanthosine 5-triphosphate_TMS_37	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2169.97
Gas Chromatography	Xanthosine 5-triphosphate_TMS_38	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1809.85
Gas Chromatography	Xanthosine 5-triphosphate_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1118.17
Gas Chromatography	Xanthosine 5-triphosphate_TMS_40	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2036.9
Gas Chromatography	Xanthosine 5-triphosphate_TMS_41	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1079.0
Gas Chromatography	Xanthosine 5-triphosphate_TMS_42	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	2222.55
Gas Chromatography	Xanthosine 5-triphosphate_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	2406.55
Gas Chromatography	Xanthosine 5-triphosphate_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	1356.9
Gas Chromatography	Xanthosine 5-triphosphate_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	2446.48
Gas Chromatography	Xanthosine 5-triphosphate_TMS_46	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2442.23
Gas Chromatography	Xanthosine 5-triphosphate_TMS_47	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2096.27
Gas Chromatography	Xanthosine 5-triphosphate_TMS_48	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3117.03
Gas Chromatography	Xanthosine 5-triphosphate_TMS_49	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1615.44
Gas Chromatography	Xanthosine 5-triphosphate_TMS_50	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1253.12
Gas Chromatography	Xanthosine 5-triphosphate_TMS_51	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2436.68
Gas Chromatography	Xanthosine 5-triphosphate_TMS_52	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	3232.64
Gas Chromatography	Xanthosine 5-triphosphate_TMS_53	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2120.69
Gas Chromatography	Xanthosine 5-triphosphate_TMS_54	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	3214.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_55	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2057.62
Gas Chromatography	Xanthosine 5-triphosphate_TMS_56	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	469.992
Gas Chromatography	Xanthosine 5-triphosphate_TMS_57	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	3170.94
Gas Chromatography	Xanthosine 5-triphosphate_TMS_58	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1847.3
Gas Chromatography	Xanthosine 5-triphosphate_TMS_59	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1749.8
Gas Chromatography	Xanthosine 5-triphosphate_TMS_60	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1894.75
Gas Chromatography	Xanthosine 5-triphosphate_TMS_61	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	764.687
Gas Chromatography	Xanthosine 5-triphosphate_TMS_62	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2493.58
Gas Chromatography	Xanthosine 5-triphosphate_TMS_63	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1159.35
Gas Chromatography	Xanthosine 5-triphosphate_TMS_64	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2561.88
Gas Chromatography	Xanthosine 5-triphosphate_TMS_65	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2788.58
Gas Chromatography	Xanthosine 5-triphosphate_TMS_66	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2074.29
Gas Chromatography	Xanthosine 5-triphosphate_TMS_67	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1513.01
Gas Chromatography	Xanthosine 5-triphosphate_TMS_68	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	2473.29
Gas Chromatography	Xanthosine 5-triphosphate_TMS_69	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2195.73
Gas Chromatography	Xanthosine 5-triphosphate_TMS_70	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1209.95
Gas Chromatography	Xanthosine 5-triphosphate_TMS_71	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2450.75
Gas Chromatography	Xanthosine 5-triphosphate_TMS_72	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1808.93
Gas Chromatography	Xanthosine 5-triphosphate_TMS_73	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1826.34
Gas Chromatography	Xanthosine 5-triphosphate_TMS_74	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2080.37
Gas Chromatography	Xanthosine 5-triphosphate_TMS_75	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1802.07
Gas Chromatography	Xanthosine 5-triphosphate_TMS_76	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2315.14
Gas Chromatography	Xanthosine 5-triphosphate_TMS_77	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	2139.16
Gas Chromatography	Xanthosine 5-triphosphate_TMS_78	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	3203.88
Gas Chromatography	Xanthosine 5-triphosphate_TMS_79	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1847.86
Gas Chromatography	Xanthosine 5-triphosphate_TMS_80	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1470.99
Gas Chromatography	Xanthosine 5-triphosphate_TMS_81	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	2474.02
Gas Chromatography	Xanthosine 5-triphosphate_TMS_82	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1858.91
Gas Chromatography	Xanthosine 5-triphosphate_TMS_83	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	879.862
Gas Chromatography	Xanthosine 5-triphosphate_TMS_84	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2514.79
Gas Chromatography	Xanthosine 5-triphosphate_TMS_85	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1842.65
Gas Chromatography	Xanthosine 5-triphosphate_TMS_86	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1740.1
Gas Chromatography	Xanthosine 5-triphosphate_TMS_87	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1079.72
Gas Chromatography	Xanthosine 5-triphosphate_TMS_88	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	547.566
Gas Chromatography	Xanthosine 5-triphosphate_TMS_89	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2003.61
Gas Chromatography	Xanthosine 5-triphosphate_TMS_90	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1222.3
Gas Chromatography	Xanthosine 5-triphosphate_TMS_91	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2552.54
Gas Chromatography	Xanthosine 5-triphosphate_TMS_92	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3632.48
Gas Chromatography	Xanthosine 5-triphosphate_TMS_93	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	1859.86
Gas Chromatography	Xanthosine 5-triphosphate_TMS_94	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	2062.25
Gas Chromatography	Xanthosine 5-triphosphate_TMS_95	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	875.75
Gas Chromatography	Xanthosine 5-triphosphate_TMS_96	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2112.26
Gas Chromatography	Xanthosine 5-triphosphate_TMS_97	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1888.51
Gas Chromatography	Xanthosine 5-triphosphate_TMS_98	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1457.07
Gas Chromatography	Xanthosine 5-triphosphate_TMS_99	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2827.1
Gas Chromatography	Xanthosine 5-triphosphate_TMS_100	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1583.47
Gas Chromatography	Xanthosine 5-triphosphate_TMS_101	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2642.4
Gas Chromatography	Xanthosine 5-triphosphate_TMS_102	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	2908.24
Gas Chromatography	Xanthosine 5-triphosphate_TMS_103	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2241.03
Gas Chromatography	Xanthosine 5-triphosphate_TMS_104	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2713.98
Gas Chromatography	Xanthosine 5-triphosphate_TMS_105	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2736.36
Gas Chromatography	Xanthosine 5-triphosphate_TMS_106	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	3353.2
Gas Chromatography	Xanthosine 5-triphosphate_TMS_107	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	890.204
Gas Chromatography	Xanthosine 5-triphosphate_TMS_108	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2823.94
Gas Chromatography	Xanthosine 5-triphosphate_TMS_109	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	3104.55
Gas Chromatography	Xanthosine 5-triphosphate_TMS_110	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1228.56
Gas Chromatography	Xanthosine 5-triphosphate_TMS_111	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2177.79
Gas Chromatography	Xanthosine 5-triphosphate_TMS_112	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2169.93
Gas Chromatography	Xanthosine 5-triphosphate_TMS_113	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2356.04
Gas Chromatography	Xanthosine 5-triphosphate_TMS_114	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2030.93
Gas Chromatography	Xanthosine 5-triphosphate_TMS_115	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1873.29
Gas Chromatography	Xanthosine 5-triphosphate_TMS_116	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2365.69
Gas Chromatography	Xanthosine 5-triphosphate_TMS_117	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2092.93
Gas Chromatography	Xanthosine 5-triphosphate_TMS_118	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1857.0
Gas Chromatography	Xanthosine 5-triphosphate_TMS_119	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	958.896
Gas Chromatography	Xanthosine 5-triphosphate_TMS_120	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1321.54
Gas Chromatography	Xanthosine 5-triphosphate_TMS_121	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2530.88
Gas Chromatography	Xanthosine 5-triphosphate_TMS_122	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2323.24
Gas Chromatography	Xanthosine 5-triphosphate_TMS_123	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1271.51
Gas Chromatography	Xanthosine 5-triphosphate_TMS_124	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2492.43
Gas Chromatography	Xanthosine 5-triphosphate_TMS_125	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2012.97
Gas Chromatography	Xanthosine 5-triphosphate_TMS_126	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2434.26
Gas Chromatography	Xanthosine 5-triphosphate_TMS_127	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2532.21
Gas Chromatography	Xanthosine 5-triphosphate_TMS_128	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	220.034
Gas Chromatography	Xanthosine 5-triphosphate_TMS_129	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	2521.47
Gas Chromatography	Xanthosine 5-triphosphate_TMS_130	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	1783.05
Gas Chromatography	Xanthosine 5-triphosphate_TMS_131	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=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	2252.89
Gas Chromatography	Xanthosine 5-triphosphate_TMS_132	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2679.75
Gas Chromatography	Xanthosine 5-triphosphate_TMS_133	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	2566.63
Gas Chromatography	Xanthosine 5-triphosphate_TMS_134	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	2633.79
Gas Chromatography	Xanthosine 5-triphosphate_TMS_135	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	723.278
Gas Chromatography	Xanthosine 5-triphosphate_TMS_136	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	3188.57
Gas Chromatography	Xanthosine 5-triphosphate_TMS_137	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1780.82
Gas Chromatography	Xanthosine 5-triphosphate_TMS_138	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2148.47
Gas Chromatography	Xanthosine 5-triphosphate_TMS_139	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2037.73
Gas Chromatography	Xanthosine 5-triphosphate_TMS_140	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	2402.98
Gas Chromatography	Xanthosine 5-triphosphate_TMS_141	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-23	1819.69
Gas Chromatography	Xanthosine 5-triphosphate_TMS_142	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2519.94
Gas Chromatography	Xanthosine 5-triphosphate_TMS_143	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1177.19
Gas Chromatography	Xanthosine 5-triphosphate_TMS_144	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2604.8
Gas Chromatography	Xanthosine 5-triphosphate_TMS_145	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O	standard polar	2025-10-23	896.989
Gas Chromatography	Xanthosine 5-triphosphate_TMS_146	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1518.95
Gas Chromatography	Xanthosine 5-triphosphate_TMS_147	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	647.504
Gas Chromatography	Xanthosine 5-triphosphate_TMS_148	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1190.73
Gas Chromatography	Xanthosine 5-triphosphate_TMS_149	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1571.23
Gas Chromatography	Xanthosine 5-triphosphate_TMS_150	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3407.49
Gas Chromatography	Xanthosine 5-triphosphate_TMS_151	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=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	3783.28
Gas Chromatography	Xanthosine 5-triphosphate_TMS_152	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=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	2258.66
Gas Chromatography	Xanthosine 5-triphosphate_TMS_153	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1920.57
Gas Chromatography	Xanthosine 5-triphosphate_TMS_154	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2372.88
Gas Chromatography	Xanthosine 5-triphosphate_TMS_155	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2361.77
Gas Chromatography	Xanthosine 5-triphosphate_TMS_156	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	3188.17
Gas Chromatography	Xanthosine 5-triphosphate_TMS_157	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	2772.45
Gas Chromatography	Xanthosine 5-triphosphate_TMS_158	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1269.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_159	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1725.7
Gas Chromatography	Xanthosine 5-triphosphate_TMS_160	C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-23	1106.46
Gas Chromatography	Xanthosine 5-triphosphate_TMS_161	C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2210.33

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces
Prostate

Tissue Locations

Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192097	Inosine triphosphate pyrophosphatase	Unknown	Q9BY32	Homo sapiens
MMDBp0192263	Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical]	Unknown	P50583	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Collection of Reactions without pathways		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Lactobacillus fermentum IFO 3956 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium perfringens ATCC 13124 Limosilactobacillus fermentum Methylobacterium nodulans Comamonas testosteroni Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Desulfovibrio salexigens Rhodopseudomonas palustris Bacillus licheniformis Priestia megaterium Bacillus pumilus Corynebacterium glutamicum Roseobacter denitrificans Enterococcus avium Enterococcus casseliflavus Desulfotomaculum reducens Enterobacter cancerogenus Bacillus clausii Bacillus selenitireducens Achromobacter xylosoxidans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Alicycliphilus denitrificans Shewanella denitrificans Escherichia albertii Syntrophus aciditrophicus Agrobacterium tumefaciens Clostridium beijerinckii Klebsiella variicola Achromobacter xylosoxidans A8 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 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus pumilus SAFR-032 Bacillus cereus AH820 Bacillus cereus Q1 Priestia megaterium DSM 319 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 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 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Laribacter hongkongensis HLHK9 Methylobacterium radiotolerans JCM 2831 Escherichia coli 042 Edwardsiella tarda FL6-60 Propionibacterium freudenreichii subsp. shermanii CIRM-BIA1 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 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 Staphylococcus epidermidis RP62A Staphylococcus epidermidis ATCC 12228 Sulfolobus solfataricus P2 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Lautropia mirabilis Lautropia mirabilis ATCC 51599 Laribacter hongkongensis Eikenella corrodens Eikenella corrodens ATCC 23834 Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Aeromonas caviae Aeromonas media Aeromonas veronii 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 Actinobacillus pleuropneumoniae Haemophilus sputorum Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Propionibacterium Streptomyces avermitilis Thermomonospora curvata Bacillus altitudinis Bacillus infantis NRRL B-14911 Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Enterococcus casseliflavus ATCC 12755 Enterococcus phoeniculicola ATCC BAA-412 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 Streptomyces coelicolor A3(2) 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 Shewanella frigidimarina NCIMB 400 Alkaliphilus metalliredigens QYMF Amycolatopsis mediterranei U32 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Bacillus selenitireducens MLS10 Carboxydothermus hydrogenoformans Z-2901 Corynebacterium glutamicum R Deinococcus geothermalis DSM 11300 Desulfotomaculum reducens MI-1 Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Intrasporangium calvum DSM 43043 Kribbella flavida DSM 17836 Mycobacterium vanbaalenii PYR-1 Nakamurella multipartita DSM 44233 Corynebacterium diphtheriae NCTC 13129 Oceanobacillus iheyensis HTE831 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Stackebrandtia nassauensis DSM 44728 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Paraburkholderia graminis C4D1M Rhodococcus hoagii ATCC 33707 Klebsiella aerogenes KCTC 2190 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 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bordetella avium 197N 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 sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. PCC 8801 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Desulfomicrobium baculatum DSM 4028 Desulfovibrio salexigens DSM 2638 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Hahella chejuensis KCTC 2396 Haloterrigena turkmenica DSM 5511 Herminiimonas arsenicoxydans Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methylibium petroleiphilum PM1 Methylobacterium nodulans ORS 2060 Methylocella silvestris BL2 Microbacterium testaceum StLB037 Bordetella bronchiseptica RB50 Xanthomonas axonopodis pv. citri str. 306 Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Alteromonas macleodii str. 'Deep ecotype' Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 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 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Rhodothermus marinus DSM 4252 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 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 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingomonas wittichii RW1 Synechococcus sp. PCC 7002 Syntrophus aciditrophicus SB Teredinibacter turnerae T7901 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25

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
MMDBr0019180	Xanthosine 5-triphosphate	XDP	Inosine/xanthosine triphosphatase	Dephosphorylation	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	148	Human ; Human feces; Human feces; pleural fluid plaque; bal; Pig ; Chicken ; Cattle	Unknown
Archaea/Archaea	Euryarchaeota	14
Archaea/Archaea	Crenarchaeota	16
Bacteria/Eubacteria	Firmicutes	50	Human feces; Human
Bacteria	Proteobacteria	2	Human ; Human feces; Human feces; pleural fluid plaque; bal; Pig ; Chicken ; Cattle	Unknown
Archaea/Archaea	Korarchaeota	1
Archaea	Crenarchaeota	1
Eukaryota/Fungi	Ascomycota	22
Eukaryota/Fungi	Chytridiomycota	1
Eukaryota/Fungi	Basidiomycota	4
Eukaryota/Fungi	Microsporidia	2
Bacteria/Eubacteria	Tenericutes	3	Human
Bacteria/Eubacteria	Acidobacteria	1
Bacteria/Eubacteria	Aquificae	3
Bacteria/Eubacteria	Bacteroidetes	7	Human ; Human feces
Bacteria/Eubacteria	Actinobacteria	24	Human ; Human feces; Cattle
Bacteria/Eubacteria	Spirochaetes	12	Human
Bacteria/Eubacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria/Eubacteria	Chlorobi	1
Bacteria/Eubacteria	Deinococcus-thermus	5
Bacteria/Eubacteria	Dictyoglomi	1
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Cyanobacteria	10
Bacteria/Eubacteria	Verrucomicrobia	2
Bacteria/Eubacteria	Planctomycetes	1
Bacteria	nah	1
Bacteria/Eubacteria	Thermotogae	2
Bacteria/Eubacteria	Nitrospirae	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0000293

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021932

KNApSAcK ID

Not Available

Chemspider ID

388429

KEGG Compound ID

C00700

BioCyc ID

Not Available

BiGG ID

35735

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439296

PDB ID

Not Available

ChEBI ID

10049

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Klinker JF, Seifert R: Functionally nonequivalent interactions of guanosine 5'-triphosphate, inosine 5'-triphosphate, and xanthosine 5'-triphosphate with the retinal G-protein, transducin, and with Gi-proteins in HL-60 leukemia cell membranes. Biochem Pharmacol. 1997 Sep 1;54(5):551-62. doi: 10.1016/s0006-2952(97)00205-0. [PubMed:9337071 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]

Showing metabocard for Xanthosine 5-triphosphate (MMDBc0029493)

MOL for #<Metabolite:0x00007f2de1745048>

3D MOL for #<Metabolite:0x00007f2de1745048>

3D SDF for #<Metabolite:0x00007f2de1745048>

3D-SDF for #<Metabolite:0x00007f2de1745048>

PDB for #<Metabolite:0x00007f2de1745048>

3D PDB for #<Metabolite:0x00007f2de1745048>

SMILES for #<Metabolite:0x00007f2de1745048>

INCHI for #<Metabolite:0x00007f2de1745048>

Structure for #<Metabolite:0x00007f2de1745048>

3D Structure for #<Metabolite:0x00007f2de1745048>