MiMeDB: Showing metabocard for ADP-Mannose (MMDBc0048913)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-04-29 22:14:46 UTC

Update Date

2024-04-30 20:37:42 UTC

Metabolite ID

MMDBc0048913

Metabolite Identification

Common Name

ADP-Mannose

Description

ADP-mannose is one of the major substrates of human hydrolases. Nudix hydrolases catalyze the hydrolysis of a variety of nucleoside diphosphate derivatives, and ADP-sugar pyrophosphatase are non-specific nucleoside diphosphosugar or diphosphoalcohol (NDP-X) pyrophosphatases, which hydrolyse some nonreducing NDP-X substrates. It has been found in erythrocytes, placenta and liver. (PMID: 1128712 , 10722730 , 9693963 ).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304302200142D          

 61 64  0  0  1  0            999 V2000
   -5.9078   -7.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1541   -7.9298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867   -7.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1955   -6.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9320   -6.7504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7330   -7.7804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4004   -8.2654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656   -7.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3119   -7.6311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5582   -7.9666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -7.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -6.3257    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -6.2394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5512   -6.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -5.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -5.0203    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -5.6877    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6344   -4.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -4.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0912   -3.0768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924   -3.7532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -3.2299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2282   -4.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6986   -2.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -2.8174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7432   -3.5525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0187   -2.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6288   -2.7003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937   -5.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2257   -8.4516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1394   -9.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720   -8.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7183   -9.1227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -8.9365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5605   -9.4214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -9.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7206  -10.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468   -8.6009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9793   -8.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -9.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9816   -9.5708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  1  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 20  1  1  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 28 38  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 26 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  6  0  0  0
 44 45  1  0  0  0  0
 42 46  1  0  0  0  0
 23 46  1  0  0  0  0
 46 47  1  1  0  0  0
 46 48  1  1  0  0  0
 48 49  1  0  0  0  0
  9 50  1  0  0  0  0
 50 51  1  6  0  0  0
 50 52  1  1  0  0  0
 52 53  1  0  0  0  0
 50 54  1  0  0  0  0
 54 55  1  6  0  0  0
 54 56  1  1  0  0  0
 56 57  1  0  0  0  0
 54 58  1  0  0  0  0
  6 58  1  0  0  0  0
 58 59  1  1  0  0  0
 58 60  1  1  0  0  0
 60 61  1  0  0  0  0
M  CHG  2  13  -1  17  -1
M  END


  Mrv1652304302200142D          

 61 64  0  0  1  0            999 V2000
   -5.9078   -7.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1541   -7.9298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867   -7.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1955   -6.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9320   -6.7504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7330   -7.7804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4004   -8.2654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656   -7.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3119   -7.6311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5582   -7.9666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -7.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -6.3257    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -6.2394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5512   -6.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -5.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -5.0203    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -5.6877    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6344   -4.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -4.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0912   -3.0768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924   -3.7532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -3.2299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2282   -4.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6986   -2.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -2.8174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7432   -3.5525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0187   -2.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6288   -2.7003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937   -5.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2257   -8.4516    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1394   -9.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720   -8.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7183   -9.1227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -8.9365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5605   -9.4214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -9.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7206  -10.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468   -8.6009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9793   -8.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -9.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9816   -9.5708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  1  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 20  1  1  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 28 38  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 26 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  6  0  0  0
 44 45  1  0  0  0  0
 42 46  1  0  0  0  0
 23 46  1  0  0  0  0
 46 47  1  1  0  0  0
 46 48  1  1  0  0  0
 48 49  1  0  0  0  0
  9 50  1  0  0  0  0
 50 51  1  6  0  0  0
 50 52  1  1  0  0  0
 52 53  1  0  0  0  0
 50 54  1  0  0  0  0
 54 55  1  6  0  0  0
 54 56  1  1  0  0  0
 56 57  1  0  0  0  0
 54 58  1  0  0  0  0
  6 58  1  0  0  0  0
 58 59  1  1  0  0  0
 58 60  1  1  0  0  0
 60 61  1  0  0  0  0
M  CHG  2  13  -1  17  -1
M  END
> <DATABASE_ID>
MMDBc0048913

> <DATABASE_NAME>
MIME

> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/p-2/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m1/s1

> <INCHI_KEY>
WFPZSXYXPSUOPY-RYRBFGMPSA-L

> <FORMULA>
C16H23N5O15P2

> <MOLECULAR_WEIGHT>
587.329

> <EXACT_MASS>
587.067686216

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
49.088570893728445

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphono]oxy}phosphonate

> <ALOGPS_LOGP>
-1.71

> <JCHEM_LOGP>
-6.7725679530330645

> <ALOGPS_LOGS>
-2.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.107282857130621

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7298676687415737

> <JCHEM_PKA_STRONGEST_BASIC>
3.99312463028185

> <JCHEM_POLAR_SURFACE_AREA>
317.41

> <JCHEM_REFRACTIVITY>
114.84240000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphono]oxyphosphonate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-APR-22         0                                  
HETATM    1  H   UNK     0     -11.028 -14.176   0.000  0.00  0.00           H+0
HETATM    2  O   UNK     0      -9.621 -14.802   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -8.375 -13.897   0.000  0.00  0.00           C+0
HETATM    4  H   UNK     0      -7.832 -12.456   0.000  0.00  0.00           H+0
HETATM    5  H   UNK     0      -9.206 -12.601   0.000  0.00  0.00           H+0
HETATM    6  C   UNK     0      -6.968 -14.523   0.000  0.00  0.00           C+0
HETATM    7  H   UNK     0      -8.214 -15.429   0.000  0.00  0.00           H+0
HETATM    8  O   UNK     0      -5.722 -13.618   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.316 -14.245   0.000  0.00  0.00           C+0
HETATM   10  H   UNK     0      -2.909 -14.871   0.000  0.00  0.00           H+0
HETATM   11  O   UNK     0      -3.070 -13.339   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0      -3.231 -11.808   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0      -1.699 -11.647   0.000  0.00  0.00           O-1
HETATM   14  O   UNK     0      -4.762 -11.969   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -3.392 -10.276   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0      -2.146  -9.371   0.000  0.00  0.00           P+0
HETATM   17  O   UNK     0      -1.241 -10.617   0.000  0.00  0.00           O-1
HETATM   18  O   UNK     0      -3.051  -8.125   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.900  -8.466   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.061  -6.934   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0      -2.037  -5.743   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0      -2.599  -7.006   0.000  0.00  0.00           H+0
HETATM   23  C   UNK     0       0.185  -6.029   0.000  0.00  0.00           C+0
HETATM   24  H   UNK     0       0.426  -7.550   0.000  0.00  0.00           H+0
HETATM   25  O   UNK     0       0.185  -4.489   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   27  H   UNK     0       3.171  -3.772   0.000  0.00  0.00           H+0
HETATM   28  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   30  H   UNK     0      -0.320  -1.303   0.000  0.00  0.00           H+0
HETATM   31  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       6.258  -0.533   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   36  H   UNK     0       7.591  -2.843   0.000  0.00  0.00           H+0
HETATM   37  N   UNK     0       4.924  -2.843   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   39  N   UNK     0       4.924   1.777   0.000  0.00  0.00           N+0
HETATM   40  H   UNK     0       6.258   2.547   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0       3.590   2.547   0.000  0.00  0.00           H+0
HETATM   42  C   UNK     0       2.555  -5.259   0.000  0.00  0.00           C+0
HETATM   43  H   UNK     0       3.254  -6.631   0.000  0.00  0.00           H+0
HETATM   44  O   UNK     0       4.095  -5.259   0.000  0.00  0.00           O+0
HETATM   45  H   UNK     0       5.635  -5.254   0.000  0.00  0.00           H+0
HETATM   46  C   UNK     0       1.650  -6.505   0.000  0.00  0.00           C+0
HETATM   47  H   UNK     0       1.174  -5.040   0.000  0.00  0.00           H+0
HETATM   48  O   UNK     0       2.126  -7.970   0.000  0.00  0.00           O+0
HETATM   49  H   UNK     0       2.601  -9.434   0.000  0.00  0.00           H+0
HETATM   50  C   UNK     0      -4.155 -15.776   0.000  0.00  0.00           C+0
HETATM   51  H   UNK     0      -3.994 -17.308   0.000  0.00  0.00           H+0
HETATM   52  O   UNK     0      -2.748 -16.403   0.000  0.00  0.00           O+0
HETATM   53  H   UNK     0      -1.341 -17.029   0.000  0.00  0.00           H+0
HETATM   54  C   UNK     0      -5.400 -16.681   0.000  0.00  0.00           C+0
HETATM   55  H   UNK     0      -6.646 -17.587   0.000  0.00  0.00           H+0
HETATM   56  O   UNK     0      -5.239 -18.213   0.000  0.00  0.00           O+0
HETATM   57  H   UNK     0      -5.078 -19.745   0.000  0.00  0.00           H+0
HETATM   58  C   UNK     0      -6.807 -16.055   0.000  0.00  0.00           C+0
HETATM   59  H   UNK     0      -5.561 -15.150   0.000  0.00  0.00           H+0
HETATM   60  O   UNK     0      -8.053 -16.960   0.000  0.00  0.00           O+0
HETATM   61  H   UNK     0      -9.299 -17.865   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7    8   58                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11   50                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   24   25   46                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28   42                                             
CONECT   27   26                                                            
CONECT   28   26   29   38                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   38                                                  
CONECT   33   32   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   28   32                                                  
CONECT   39   33   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   26   43   44   46                                             
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44                                                            
CONECT   46   42   23   47   48                                             
CONECT   47   46                                                            
CONECT   48   46   49                                                       
CONECT   49   48                                                            
CONECT   50    9   51   52   54                                             
CONECT   51   50                                                            
CONECT   52   50   53                                                       
CONECT   53   52                                                            
CONECT   54   50   55   56   58                                             
CONECT   55   54                                                            
CONECT   56   54   57                                                       
CONECT   57   56                                                            
CONECT   58   54    6   59   60                                             
CONECT   59   58                                                            
CONECT   60   58   61                                                       
CONECT   61   60                                                            
MASTER        0    0    0    0    0    0    0    0   61    0  128    0
END

Synonyms

Value	Source
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonic acid	Generator

Molecular Formula

C₁₆H₂₃N₅O₁₅P₂

Average Mass

587.329

Monoisotopic Mass

587.067686216

IUPAC Name

[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphono]oxy}phosphonate

Traditional Name

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphono]oxyphosphonate

CAS Registry Number

28447-34-9

SMILES

[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

InChI Identifier

InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/p-2/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m1/s1

InChI Key

WFPZSXYXPSUOPY-RYRBFGMPSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine nucleotide sugars

Direct Parent

Purine nucleotide sugars

Alternative Parents

Substituents

Purine nucleotide sugar
Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Imidazopyrimidine
Purine
Aminopyrimidine
Pyrimidine
Alkyl phosphate
Imidolactam
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Azole
Imidazole
Heteroaromatic compound
Oxolane
Secondary alcohol
1,2-diol
Azacycle
Oxacycle
Polyol
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary amine
Primary alcohol
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Alcohol
Amine
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	6.14 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-6.8	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	3.99	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	317.41 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	114.84 m³·mol⁻¹	ChemAxon
Polarizability	49.09 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

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)	2025-10-24	530.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	340.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	110.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	335.1
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	344.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	205.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1365.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	712.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	843.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	133.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	372.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	155.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	54.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	452.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	478.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	67.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	209.8
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	986.7
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	612.3

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	ADP-Mannose_TMS_1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2223.8
Gas Chromatography	ADP-Mannose_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-24	1477.66
Gas Chromatography	ADP-Mannose_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1708.53
Gas Chromatography	ADP-Mannose_TMS_4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1792.52
Gas Chromatography	ADP-Mannose_TMS_5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	104.061
Gas Chromatography	ADP-Mannose_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1180.7
Gas Chromatography	ADP-Mannose_TMS_7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2237.98
Gas Chromatography	ADP-Mannose_TMS_8	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1442.16
Gas Chromatography	ADP-Mannose_TMS_9	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1643.71
Gas Chromatography	ADP-Mannose_TMS_10	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2856.42
Gas Chromatography	ADP-Mannose_TMS_11	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	411.726
Gas Chromatography	ADP-Mannose_TMS_12	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	4212.14
Gas Chromatography	ADP-Mannose_TMS_13	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	3003.12
Gas Chromatography	ADP-Mannose_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2449.2
Gas Chromatography	ADP-Mannose_TMS_15	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	734.768
Gas Chromatography	ADP-Mannose_TMS_16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	824.878
Gas Chromatography	ADP-Mannose_TMS_17	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3354.98
Gas Chromatography	ADP-Mannose_TMS_18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1743.69
Gas Chromatography	ADP-Mannose_TMS_19	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1828.07
Gas Chromatography	ADP-Mannose_TMS_20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	690.276
Gas Chromatography	ADP-Mannose_TMS_21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1032.17
Gas Chromatography	ADP-Mannose_TMS_22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1282.86
Gas Chromatography	ADP-Mannose_TMS_23	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	478.699
Gas Chromatography	ADP-Mannose_TMS_24	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	standard non polar	2025-10-24	2285.15
Gas Chromatography	ADP-Mannose_TMS_25	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1163.15
Gas Chromatography	ADP-Mannose_TMS_26	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1981.75
Gas Chromatography	ADP-Mannose_TMS_27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1393.84
Gas Chromatography	ADP-Mannose_TMS_28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1179.94
Gas Chromatography	ADP-Mannose_TMS_29	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard non polar	2025-10-24	1831.25
Gas Chromatography	ADP-Mannose_TMS_30	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2417.31
Gas Chromatography	ADP-Mannose_TMS_31	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2124.01
Gas Chromatography	ADP-Mannose_TMS_32	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	134.533
Gas Chromatography	ADP-Mannose_TMS_33	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2724.57
Gas Chromatography	ADP-Mannose_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1220.82
Gas Chromatography	ADP-Mannose_TMS_35	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1431.97
Gas Chromatography	ADP-Mannose_TMS_36	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2159.64
Gas Chromatography	ADP-Mannose_TMS_37	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1920.23
Gas Chromatography	ADP-Mannose_TMS_38	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	805.433
Gas Chromatography	ADP-Mannose_TMS_39	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2432.22
Gas Chromatography	ADP-Mannose_TMS_40	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1370.42
Gas Chromatography	ADP-Mannose_TMS_41	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1887.16
Gas Chromatography	ADP-Mannose_TMS_42	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	4861.06
Gas Chromatography	ADP-Mannose_TMS_43	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	3888.26
Gas Chromatography	ADP-Mannose_TMS_44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	926.551
Gas Chromatography	ADP-Mannose_TMS_45	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1041.03
Gas Chromatography	ADP-Mannose_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	3401.19
Gas Chromatography	ADP-Mannose_TMS_47	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	1726.32
Gas Chromatography	ADP-Mannose_TMS_48	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1406.41
Gas Chromatography	ADP-Mannose_TMS_49	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2417.84
Gas Chromatography	ADP-Mannose_TMS_50	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	standard non polar	2025-10-24	3572.09
Gas Chromatography	ADP-Mannose_TMS_51	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2833.99
Gas Chromatography	ADP-Mannose_TMS_52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3141.43
Gas Chromatography	ADP-Mannose_TMS_53	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2993.32
Gas Chromatography	ADP-Mannose_TMS_54	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2343.5
Gas Chromatography	ADP-Mannose_TMS_55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	885.075
Gas Chromatography	ADP-Mannose_TMS_56	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-24	2334.28
Gas Chromatography	ADP-Mannose_TMS_57	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-24	21.4665
Gas Chromatography	ADP-Mannose_TMS_58	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2320.59
Gas Chromatography	ADP-Mannose_TMS_59	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	966.731
Gas Chromatography	ADP-Mannose_TMS_60	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2479.45
Gas Chromatography	ADP-Mannose_TMS_61	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1874.3
Gas Chromatography	ADP-Mannose_TMS_62	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2776.92
Gas Chromatography	ADP-Mannose_TMS_63	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	178.28
Gas Chromatography	ADP-Mannose_TMS_64	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1988.02
Gas Chromatography	ADP-Mannose_TMS_65	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2142.97
Gas Chromatography	ADP-Mannose_TMS_66	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2795.81
Gas Chromatography	ADP-Mannose_TMS_67	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2729.25
Gas Chromatography	ADP-Mannose_TMS_68	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2292.26
Gas Chromatography	ADP-Mannose_TMS_69	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	2114.34
Gas Chromatography	ADP-Mannose_TMS_70	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1897.34
Gas Chromatography	ADP-Mannose_TMS_71	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	867.695
Gas Chromatography	ADP-Mannose_TMS_72	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1282.54
Gas Chromatography	ADP-Mannose_TMS_73	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1014.31
Gas Chromatography	ADP-Mannose_TMS_74	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1242.66
Gas Chromatography	ADP-Mannose_TMS_75	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1228.27
Gas Chromatography	ADP-Mannose_TMS_76	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1037.88
Gas Chromatography	ADP-Mannose_TMS_77	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2566.54
Gas Chromatography	ADP-Mannose_TMS_78	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1520.86
Gas Chromatography	ADP-Mannose_TMS_79	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1723.95
Gas Chromatography	ADP-Mannose_TMS_80	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2479.62
Gas Chromatography	ADP-Mannose_TMS_81	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1690.0
Gas Chromatography	ADP-Mannose_TMS_82	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1485.24
Gas Chromatography	ADP-Mannose_TMS_83	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1256.21
Gas Chromatography	ADP-Mannose_TMS_84	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2329.02
Gas Chromatography	ADP-Mannose_TMS_85	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3326.81
Gas Chromatography	ADP-Mannose_TMS_86	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2357.63
Gas Chromatography	ADP-Mannose_TMS_87	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1542.35
Gas Chromatography	ADP-Mannose_TMS_88	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	3545.48
Gas Chromatography	ADP-Mannose_TMS_89	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1750.78
Gas Chromatography	ADP-Mannose_TMS_90	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2449.9
Gas Chromatography	ADP-Mannose_TMS_91	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1562.61
Gas Chromatography	ADP-Mannose_TMS_92	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1733.35
Gas Chromatography	ADP-Mannose_TMS_93	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2162.99
Gas Chromatography	ADP-Mannose_TMS_94	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2253.82
Gas Chromatography	ADP-Mannose_TMS_95	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1618.31
Gas Chromatography	ADP-Mannose_TMS_96	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-24	2001.7
Gas Chromatography	ADP-Mannose_TMS_97	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1271.36
Gas Chromatography	ADP-Mannose_TMS_98	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1582.35
Gas Chromatography	ADP-Mannose_TMS_99	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2065.35
Gas Chromatography	ADP-Mannose_TMS_100	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2840.25
Gas Chromatography	ADP-Mannose_TMS_101	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1533.35
Gas Chromatography	ADP-Mannose_TMS_102	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2247.52
Gas Chromatography	ADP-Mannose_TMS_103	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2567.63
Gas Chromatography	ADP-Mannose_TMS_104	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1738.29
Gas Chromatography	ADP-Mannose_TMS_105	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2145.01
Gas Chromatography	ADP-Mannose_TMS_106	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1548.49
Gas Chromatography	ADP-Mannose_TMS_107	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2782.15
Gas Chromatography	ADP-Mannose_TMS_108	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	2143.04
Gas Chromatography	ADP-Mannose_TMS_109	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3060.56
Gas Chromatography	ADP-Mannose_TMS_110	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1986.7
Gas Chromatography	ADP-Mannose_TMS_111	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1215.24
Gas Chromatography	ADP-Mannose_TMS_112	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2434.12
Gas Chromatography	ADP-Mannose_TMS_113	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1979.47
Gas Chromatography	ADP-Mannose_TMS_114	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1239.2
Gas Chromatography	ADP-Mannose_TMS_115	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	2391.9
Gas Chromatography	ADP-Mannose_TMS_116	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2273.12
Gas Chromatography	ADP-Mannose_TMS_117	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2259.86
Gas Chromatography	ADP-Mannose_TMS_118	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2068.16
Gas Chromatography	ADP-Mannose_TMS_119	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	standard non polar	2025-10-24	1522.01
Gas Chromatography	ADP-Mannose_TMS_120	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1722.21
Gas Chromatography	ADP-Mannose_TMS_1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2800.64
Gas Chromatography	ADP-Mannose_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-24	2427.78
Gas Chromatography	ADP-Mannose_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2552.68
Gas Chromatography	ADP-Mannose_TMS_4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2930.57
Gas Chromatography	ADP-Mannose_TMS_5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	1503.99
Gas Chromatography	ADP-Mannose_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2554.08
Gas Chromatography	ADP-Mannose_TMS_7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2701.0
Gas Chromatography	ADP-Mannose_TMS_8	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2079.13
Gas Chromatography	ADP-Mannose_TMS_9	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	3907.71
Gas Chromatography	ADP-Mannose_TMS_10	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2281.29
Gas Chromatography	ADP-Mannose_TMS_11	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2703.49
Gas Chromatography	ADP-Mannose_TMS_12	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	661.039
Gas Chromatography	ADP-Mannose_TMS_13	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1853.52
Gas Chromatography	ADP-Mannose_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1419.97
Gas Chromatography	ADP-Mannose_TMS_15	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1415.96
Gas Chromatography	ADP-Mannose_TMS_16	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	2497.65
Gas Chromatography	ADP-Mannose_TMS_17	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1671.29
Gas Chromatography	ADP-Mannose_TMS_18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2306.58
Gas Chromatography	ADP-Mannose_TMS_19	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2792.79
Gas Chromatography	ADP-Mannose_TMS_20	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	2268.11
Gas Chromatography	ADP-Mannose_TMS_21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	709.524
Gas Chromatography	ADP-Mannose_TMS_22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1642.23
Gas Chromatography	ADP-Mannose_TMS_23	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2709.61
Gas Chromatography	ADP-Mannose_TMS_24	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	standard polar	2025-10-24	3042.23
Gas Chromatography	ADP-Mannose_TMS_25	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2905.86
Gas Chromatography	ADP-Mannose_TMS_26	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2606.64
Gas Chromatography	ADP-Mannose_TMS_27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1967.79
Gas Chromatography	ADP-Mannose_TMS_28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1133.53
Gas Chromatography	ADP-Mannose_TMS_29	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard polar	2025-10-24	1635.62
Gas Chromatography	ADP-Mannose_TMS_30	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1684.6
Gas Chromatography	ADP-Mannose_TMS_31	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	3577.49
Gas Chromatography	ADP-Mannose_TMS_32	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2741.93
Gas Chromatography	ADP-Mannose_TMS_33	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1434.39
Gas Chromatography	ADP-Mannose_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2508.91
Gas Chromatography	ADP-Mannose_TMS_35	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1039.09
Gas Chromatography	ADP-Mannose_TMS_36	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1365.16
Gas Chromatography	ADP-Mannose_TMS_37	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1651.48
Gas Chromatography	ADP-Mannose_TMS_38	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1982.08
Gas Chromatography	ADP-Mannose_TMS_39	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2789.41
Gas Chromatography	ADP-Mannose_TMS_40	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2266.95
Gas Chromatography	ADP-Mannose_TMS_41	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1811.88
Gas Chromatography	ADP-Mannose_TMS_42	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1608.85
Gas Chromatography	ADP-Mannose_TMS_43	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2707.66
Gas Chromatography	ADP-Mannose_TMS_44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2340.32
Gas Chromatography	ADP-Mannose_TMS_45	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2374.32
Gas Chromatography	ADP-Mannose_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2152.03
Gas Chromatography	ADP-Mannose_TMS_47	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	2403.76
Gas Chromatography	ADP-Mannose_TMS_48	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1170.15
Gas Chromatography	ADP-Mannose_TMS_49	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1951.98
Gas Chromatography	ADP-Mannose_TMS_50	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	standard polar	2025-10-24	3229.27
Gas Chromatography	ADP-Mannose_TMS_51	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2282.84
Gas Chromatography	ADP-Mannose_TMS_52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1547.12
Gas Chromatography	ADP-Mannose_TMS_53	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2370.8
Gas Chromatography	ADP-Mannose_TMS_54	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2823.22
Gas Chromatography	ADP-Mannose_TMS_55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2188.86
Gas Chromatography	ADP-Mannose_TMS_56	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-24	2649.36
Gas Chromatography	ADP-Mannose_TMS_57	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-24	2760.09
Gas Chromatography	ADP-Mannose_TMS_58	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1594.05
Gas Chromatography	ADP-Mannose_TMS_59	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1936.69
Gas Chromatography	ADP-Mannose_TMS_60	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1374.1
Gas Chromatography	ADP-Mannose_TMS_61	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2652.16
Gas Chromatography	ADP-Mannose_TMS_62	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1905.45
Gas Chromatography	ADP-Mannose_TMS_63	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2140.92
Gas Chromatography	ADP-Mannose_TMS_64	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-24	3058.67
Gas Chromatography	ADP-Mannose_TMS_65	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1519.09
Gas Chromatography	ADP-Mannose_TMS_66	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2362.78
Gas Chromatography	ADP-Mannose_TMS_67	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1934.93
Gas Chromatography	ADP-Mannose_TMS_68	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	10.3799
Gas Chromatography	ADP-Mannose_TMS_69	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	1765.86
Gas Chromatography	ADP-Mannose_TMS_70	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2002.2
Gas Chromatography	ADP-Mannose_TMS_71	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2798.94
Gas Chromatography	ADP-Mannose_TMS_72	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2613.41
Gas Chromatography	ADP-Mannose_TMS_73	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2999.87
Gas Chromatography	ADP-Mannose_TMS_74	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2637.52
Gas Chromatography	ADP-Mannose_TMS_75	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1663.19
Gas Chromatography	ADP-Mannose_TMS_76	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2444.71
Gas Chromatography	ADP-Mannose_TMS_77	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2159.45
Gas Chromatography	ADP-Mannose_TMS_78	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1850.52
Gas Chromatography	ADP-Mannose_TMS_79	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2151.62
Gas Chromatography	ADP-Mannose_TMS_80	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3217.76
Gas Chromatography	ADP-Mannose_TMS_81	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1002.34
Gas Chromatography	ADP-Mannose_TMS_82	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2291.72
Gas Chromatography	ADP-Mannose_TMS_83	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2970.02
Gas Chromatography	ADP-Mannose_TMS_84	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1996.39
Gas Chromatography	ADP-Mannose_TMS_85	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2925.63
Gas Chromatography	ADP-Mannose_TMS_86	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	293.937
Gas Chromatography	ADP-Mannose_TMS_87	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1598.38
Gas Chromatography	ADP-Mannose_TMS_88	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1255.21
Gas Chromatography	ADP-Mannose_TMS_89	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1428.89
Gas Chromatography	ADP-Mannose_TMS_90	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	697.664
Gas Chromatography	ADP-Mannose_TMS_91	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	865.656
Gas Chromatography	ADP-Mannose_TMS_92	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1890.61
Gas Chromatography	ADP-Mannose_TMS_93	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2026.53
Gas Chromatography	ADP-Mannose_TMS_94	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3489.84
Gas Chromatography	ADP-Mannose_TMS_95	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2961.99
Gas Chromatography	ADP-Mannose_TMS_96	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-24	1722.04
Gas Chromatography	ADP-Mannose_TMS_97	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1678.52
Gas Chromatography	ADP-Mannose_TMS_98	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1717.93
Gas Chromatography	ADP-Mannose_TMS_99	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	260.141
Gas Chromatography	ADP-Mannose_TMS_100	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2439.26
Gas Chromatography	ADP-Mannose_TMS_101	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1804.16
Gas Chromatography	ADP-Mannose_TMS_102	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2013.41
Gas Chromatography	ADP-Mannose_TMS_103	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1436.83
Gas Chromatography	ADP-Mannose_TMS_104	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1932.63
Gas Chromatography	ADP-Mannose_TMS_105	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1944.46
Gas Chromatography	ADP-Mannose_TMS_106	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2773.17
Gas Chromatography	ADP-Mannose_TMS_107	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	924.91
Gas Chromatography	ADP-Mannose_TMS_108	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	1601.68
Gas Chromatography	ADP-Mannose_TMS_109	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	942.836
Gas Chromatography	ADP-Mannose_TMS_110	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	-360.183
Gas Chromatography	ADP-Mannose_TMS_111	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1803.04
Gas Chromatography	ADP-Mannose_TMS_112	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2089.19
Gas Chromatography	ADP-Mannose_TMS_113	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	3366.9
Gas Chromatography	ADP-Mannose_TMS_114	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1120.08
Gas Chromatography	ADP-Mannose_TMS_115	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	813.133
Gas Chromatography	ADP-Mannose_TMS_116	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1762.87
Gas Chromatography	ADP-Mannose_TMS_117	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1472.05
Gas Chromatography	ADP-Mannose_TMS_118	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2268.39
Gas Chromatography	ADP-Mannose_TMS_119	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	standard polar	2025-10-24	310.355
Gas Chromatography	ADP-Mannose_TMS_120	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2724.04

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

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

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
Eukaryota/Fungi	Basidiomycota	8	Human feces
Eukaryota/Fungi	Ascomycota	2

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25200695

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Jongkees LB: [Task, role and function of the academic hospital]. Ned Tijdschr Geneeskd. 1975 Mar 22;119(12):478-9. [PubMed:1128712 ]
Kim JS, Kim WY, Rho HW, Park JW, Park BH, Han MK, Kim UH, Kim HR: Purification and characterization of adenosine diphosphate ribose pyrophosphatase from human erythrocytes. Int J Biochem Cell Biol. 1998 May;30(5):629-38. doi: 10.1016/s1357-2725(97)00142-8. [PubMed:9693963 ]
Yang H, Slupska MM, Wei YF, Tai JH, Luther WM, Xia YR, Shih DM, Chiang JH, Baikalov C, Fitz-Gibbon S, Phan IT, Conrad A, Miller JH: Cloning and characterization of a new member of the Nudix hydrolases from human and mouse. J Biol Chem. 2000 Mar 24;275(12):8844-53. doi: 10.1074/jbc.275.12.8844. [PubMed:10722730 ]

Showing metabocard for ADP-Mannose (MMDBc0048913)

MOL for #<Metabolite:0x00007f9ad03a0eb8>

3D MOL for #<Metabolite:0x00007f9ad03a0eb8>

3D SDF for #<Metabolite:0x00007f9ad03a0eb8>

3D-SDF for #<Metabolite:0x00007f9ad03a0eb8>

PDB for #<Metabolite:0x00007f9ad03a0eb8>

3D PDB for #<Metabolite:0x00007f9ad03a0eb8>

SMILES for #<Metabolite:0x00007f9ad03a0eb8>

INCHI for #<Metabolite:0x00007f9ad03a0eb8>

Structure for #<Metabolite:0x00007f9ad03a0eb8>

3D Structure for #<Metabolite:0x00007f9ad03a0eb8>