MiMeDB: Showing metabocard for dGDP (MMDBc0029518)

Microbial

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:25:36 UTC

Update Date

2024-10-11 01:33:12 UTC

Metabolite ID

MMDBc0029518

Metabolite Identification

Common Name

dGDP

Description

Deoxyguanosine diphosphate or dGDP is a member of the chemical class known as Purine 2'-deoxyribonucleoside Diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2. DGDP is invovled in Purine metabolism. It is related to the common nucleic acid GTP, or guanosine triphosphate, with the -OH (hydroxyl) group on the 2' carbon on the nucleotide's pentose removed (hence the deoxy- part of the name), and with one fewer phosphoryl group than GTP.

Structure

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


  Mrv1652309042000142D          

 27 29  0  0  1  0            999 V2000
    2.3016    0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6737    0.5296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3814   -0.7574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    0.2799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9512    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115    1.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760    0.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688   -1.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305    0.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731   -0.5839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351    0.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -1.9230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251    0.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1684   -0.4660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2091    0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4355   -1.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8301    0.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6591    0.0162    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4884    0.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -0.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    0.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3174    0.0232    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243   -0.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1501    0.0232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243    0.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  6  0  0  0
 17 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
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
  6  7  2  0  0  0  0
  9 12  1  0  0  0  0
 15 16  1  0  0  0  0
M  END

HMDB0000960
     RDKit          3D
dGDP
 42 44  0  0  0  0  0  0  0  0999 V2000
   -4.1919    3.0542   -0.1746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979    1.6654    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103    0.8604    0.1651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.4454    0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7046   -0.9626    0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770   -2.2728    0.7335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2741   -2.5780    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608   -1.4567    0.5356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216   -1.4347    0.4887 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5908   -1.7624   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8554   -1.2813   -0.7696 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6213   -2.4413   -0.5292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720   -0.4065    0.4479 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5324    0.8890    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    0.5968    0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906    1.9927   -0.1816 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3538    2.3793    1.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595    3.2486   -0.7671 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    1.6520   -1.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2127    0.6452   -0.4526 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.6279    0.8943   -0.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2161    0.8171    1.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8892   -1.0007   -0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789   -0.1820    0.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7979   -0.1288    0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9811   -0.5849    0.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5602    1.1716    0.1833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036    3.6444    0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5859    3.5016   -1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773   -3.5876    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575   -2.1299    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -2.8408   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -1.1342   -1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -0.7515   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233   -3.2226   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1941   -0.9626    1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    1.4995    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    1.4209   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    3.5680   -1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5068   -0.0366    1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2471   -1.2914   -0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4043    1.7956    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 13 24  1  0
  5 25  1  0
 25 26  2  0
 25 27  1  0
 27  2  1  0
  8  4  1  0
 24  9  1  0
  1 28  1  0
  1 29  1  0
  7 30  1  0
  9 31  1  1
 10 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 13 36  1  1
 14 37  1  0
 14 38  1  0
 18 39  1  0
 22 40  1  0
 23 41  1  0
 27 42  1  0
M  END


  Mrv1652309042000142D          

 27 29  0  0  1  0            999 V2000
    2.3016    0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6737    0.5296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3814   -0.7574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    0.2799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9512    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115    1.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760    0.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688   -1.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305    0.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731   -0.5839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351    0.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -1.9230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251    0.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1684   -0.4660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2091    0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4355   -1.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8301    0.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6591    0.0162    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4884    0.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -0.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    0.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3174    0.0232    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243   -0.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1501    0.0232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243    0.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  6  0  0  0
 17 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
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
  6  7  2  0  0  0  0
  9 12  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029518

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

> <INCHI_KEY>
CIKGWCTVFSRMJU-KVQBGUIXSA-N

> <FORMULA>
C10H15N5O10P2

> <MOLECULAR_WEIGHT>
427.2011

> <EXACT_MASS>
427.029414749

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
34.98723478823068

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-1.45

> <JCHEM_LOGP>
-2.518337817879012

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.211180454774107

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.791789653298578

> <JCHEM_PKA_STRONGEST_BASIC>
0.44204991344968037

> <JCHEM_POLAR_SURFACE_AREA>
228.04999999999995

> <JCHEM_REFRACTIVITY>
84.85619999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.60e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dGDP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000960
     RDKit          3D
dGDP
 42 44  0  0  0  0  0  0  0  0999 V2000
   -4.1919    3.0542   -0.1746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979    1.6654    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103    0.8604    0.1651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.4454    0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7046   -0.9626    0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770   -2.2728    0.7335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2741   -2.5780    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608   -1.4567    0.5356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216   -1.4347    0.4887 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5908   -1.7624   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8554   -1.2813   -0.7696 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6213   -2.4413   -0.5292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720   -0.4065    0.4479 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5324    0.8890    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    0.5968    0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906    1.9927   -0.1816 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3538    2.3793    1.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595    3.2486   -0.7671 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    1.6520   -1.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2127    0.6452   -0.4526 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.6279    0.8943   -0.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2161    0.8171    1.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8892   -1.0007   -0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789   -0.1820    0.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7979   -0.1288    0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9811   -0.5849    0.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5602    1.1716    0.1833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036    3.6444    0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5859    3.5016   -1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773   -3.5876    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575   -2.1299    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -2.8408   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -1.1342   -1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -0.7515   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233   -3.2226   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1941   -0.9626    1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    1.4995    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    1.4209   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    3.5680   -1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5068   -0.0366    1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2471   -1.2914   -0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4043    1.7956    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 13 24  1  0
  5 25  1  0
 25 26  2  0
 25 27  1  0
 27  2  1  0
  8  4  1  0
 24  9  1  0
  1 28  1  0
  1 29  1  0
  7 30  1  0
  9 31  1  1
 10 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 13 36  1  1
 14 37  1  0
 14 38  1  0
 18 39  1  0
 22 40  1  0
 23 41  1  0
 27 42  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       4.296   0.166   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       3.124   0.989   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       5.663   1.176   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       4.445  -1.414   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       1.693   0.522   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.642   2.536   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       5.248   2.523   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       7.048   0.555   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.915  -2.055   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.430   1.468   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.214  -0.870   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       7.230  -1.090   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0       8.279   1.474   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       6.083  -3.590   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      -0.793   0.587   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.314  -0.870   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.257   1.066   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.813  -2.327   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -3.416   0.030   0.000  0.00  0.00           O+0
HETATM   20  P   UNK     0      -4.964   0.030   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0      -6.512   0.030   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.970  -1.517   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -4.970   1.584   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      -8.059   0.043   0.000  0.00  0.00           P+0
HETATM   25  O   UNK     0      -8.072  -1.511   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -9.613   0.043   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -8.072   1.591   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10   11                                                  
CONECT    6    2    7                                                       
CONECT    7    3    6                                                       
CONECT    8    3   12   13                                                  
CONECT    9    4   14   12                                                  
CONECT   10    5   15                                                       
CONECT   11    5   16                                                       
CONECT   12    8    9                                                       
CONECT   13    8                                                            
CONECT   14    9                                                            
CONECT   15   10   17   16                                                  
CONECT   16   11   18   15                                                  
CONECT   17   15   19                                                       
CONECT   18   16                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20   24                                                       
CONECT   22   20                                                            
CONECT   23   20                                                            
CONECT   24   21   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0000960
HETATM    1  N1  UNL     1      -4.192   3.054  -0.175  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.298   1.665   0.062  1.00  0.00           C  
HETATM    3  N2  UNL     1      -3.210   0.860   0.165  1.00  0.00           N  
HETATM    4  C2  UNL     1      -3.433  -0.445   0.392  1.00  0.00           C  
HETATM    5  C3  UNL     1      -4.705  -0.963   0.517  1.00  0.00           C  
HETATM    6  N3  UNL     1      -4.577  -2.273   0.733  1.00  0.00           N  
HETATM    7  C4  UNL     1      -3.274  -2.578   0.746  1.00  0.00           C  
HETATM    8  N4  UNL     1      -2.561  -1.457   0.536  1.00  0.00           N  
HETATM    9  C5  UNL     1      -1.122  -1.435   0.489  1.00  0.00           C  
HETATM   10  C6  UNL     1      -0.591  -1.762  -0.897  1.00  0.00           C  
HETATM   11  C7  UNL     1       0.855  -1.281  -0.770  1.00  0.00           C  
HETATM   12  O1  UNL     1       1.621  -2.441  -0.529  1.00  0.00           O  
HETATM   13  C8  UNL     1       0.772  -0.407   0.448  1.00  0.00           C  
HETATM   14  C9  UNL     1       1.532   0.889   0.277  1.00  0.00           C  
HETATM   15  O2  UNL     1       2.871   0.597   0.021  1.00  0.00           O  
HETATM   16  P1  UNL     1       3.791   1.993  -0.182  1.00  0.00           P  
HETATM   17  O3  UNL     1       4.354   2.379   1.162  1.00  0.00           O  
HETATM   18  O4  UNL     1       2.860   3.249  -0.767  1.00  0.00           O  
HETATM   19  O5  UNL     1       5.107   1.652  -1.197  1.00  0.00           O  
HETATM   20  P2  UNL     1       6.213   0.645  -0.453  1.00  0.00           P  
HETATM   21  O6  UNL     1       7.628   0.894  -0.957  1.00  0.00           O  
HETATM   22  O7  UNL     1       6.216   0.817   1.233  1.00  0.00           O  
HETATM   23  O8  UNL     1       5.889  -1.001  -0.776  1.00  0.00           O  
HETATM   24  O9  UNL     1      -0.579  -0.182   0.707  1.00  0.00           O  
HETATM   25  C10 UNL     1      -5.798  -0.129   0.409  1.00  0.00           C  
HETATM   26  O10 UNL     1      -6.981  -0.585   0.522  1.00  0.00           O  
HETATM   27  N5  UNL     1      -5.560   1.172   0.183  1.00  0.00           N  
HETATM   28  H1  UNL     1      -3.704   3.644   0.521  1.00  0.00           H  
HETATM   29  H2  UNL     1      -4.586   3.502  -1.020  1.00  0.00           H  
HETATM   30  H3  UNL     1      -2.877  -3.588   0.904  1.00  0.00           H  
HETATM   31  H4  UNL     1      -0.658  -2.130   1.231  1.00  0.00           H  
HETATM   32  H5  UNL     1      -0.636  -2.841  -1.125  1.00  0.00           H  
HETATM   33  H6  UNL     1      -1.116  -1.134  -1.642  1.00  0.00           H  
HETATM   34  H7  UNL     1       1.195  -0.751  -1.670  1.00  0.00           H  
HETATM   35  H8  UNL     1       1.223  -3.223  -1.030  1.00  0.00           H  
HETATM   36  H9  UNL     1       1.194  -0.963   1.305  1.00  0.00           H  
HETATM   37  H10 UNL     1       1.515   1.499   1.198  1.00  0.00           H  
HETATM   38  H11 UNL     1       1.133   1.421  -0.606  1.00  0.00           H  
HETATM   39  H12 UNL     1       3.137   3.568  -1.661  1.00  0.00           H  
HETATM   40  H13 UNL     1       6.507  -0.037   1.677  1.00  0.00           H  
HETATM   41  H14 UNL     1       5.247  -1.291  -0.086  1.00  0.00           H  
HETATM   42  H15 UNL     1      -6.404   1.796   0.104  1.00  0.00           H  
CONECT    1    2   28   29
CONECT    2    3    3   27
CONECT    3    4
CONECT    4    5    5    8
CONECT    5    6   25
CONECT    6    7    7
CONECT    7    8   30
CONECT    8    9
CONECT    9   10   24   31
CONECT   10   11   32   33
CONECT   11   12   13   34
CONECT   12   35
CONECT   13   14   24   36
CONECT   14   15   37   38
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   39
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   40
CONECT   23   41
CONECT   25   26   26   27
CONECT   27   42
END

HMDB0000960
     RDKit          3D
dGDP
 42 44  0  0  0  0  0  0  0  0999 V2000
   -4.1919    3.0542   -0.1746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979    1.6654    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103    0.8604    0.1651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.4454    0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7046   -0.9626    0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770   -2.2728    0.7335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2741   -2.5780    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608   -1.4567    0.5356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216   -1.4347    0.4887 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5908   -1.7624   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8554   -1.2813   -0.7696 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6213   -2.4413   -0.5292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720   -0.4065    0.4479 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5324    0.8890    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    0.5968    0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906    1.9927   -0.1816 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3538    2.3793    1.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595    3.2486   -0.7671 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    1.6520   -1.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2127    0.6452   -0.4526 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.6279    0.8943   -0.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2161    0.8171    1.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8892   -1.0007   -0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789   -0.1820    0.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7979   -0.1288    0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9811   -0.5849    0.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5602    1.1716    0.1833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036    3.6444    0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5859    3.5016   -1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773   -3.5876    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575   -2.1299    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -2.8408   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -1.1342   -1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -0.7515   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233   -3.2226   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1941   -0.9626    1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    1.4995    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    1.4209   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    3.5680   -1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5068   -0.0366    1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2471   -1.2914   -0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4043    1.7956    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 13 24  1  0
  5 25  1  0
 25 26  2  0
 25 27  1  0
 27  2  1  0
  8  4  1  0
 24  9  1  0
  1 28  1  0
  1 29  1  0
  7 30  1  0
  9 31  1  1
 10 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 13 36  1  1
 14 37  1  0
 14 38  1  0
 18 39  1  0
 22 40  1  0
 23 41  1  0
 27 42  1  0
M  END

Synonyms

Value	Source
2'-Deoxyguanosine 5'-diphosphate	ChEBI
Deoxyguanosine diphosphate	ChEBI
2'-Deoxyguanosine 5'-diphosphoric acid	Generator
Deoxyguanosine diphosphoric acid	Generator
2'-Deoxy-GDP	HMDB
2'-Deoxyguanosine-5'-diphosphate	HMDB
5'-dGDP	HMDB
Deoxyguanosine 5'-diphosphate	HMDB
Deoxyguanosine-diphosphate	HMDB

Molecular Formula

C₁₀H₁₅N₅O₁₀P₂

Average Mass

427.2011

Monoisotopic Mass

427.029414749

IUPAC Name

[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

Traditional Name

dGDP

CAS Registry Number

102783-74-4

SMILES

NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1

InChI Identifier

InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChI Key

CIKGWCTVFSRMJU-KVQBGUIXSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Hydroxycinnamic acids

Alternative Parents

Substituents

Cinnamic acid
Coumaric acid or derivatives
Hydroxycinnamic acid
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Styrene
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Ether
Organic oxygen compound
Carbonyl group
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

ferulic acids (CHEBI:27794 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	3.6 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-2.5	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.79	ChemAxon
pKa (Strongest Basic)	0.44	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	228.05 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	84.86 m³·mol⁻¹	ChemAxon
Polarizability	34.99 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	splash10-056v-8931100000-80ef9c9f635e7c791ca3	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-006w-9273200000-8578b4069f91a1e37a93	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-004i-9600800000-36eca5667f3968858676	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-0udi-2910000000-7d78949fd021bc9a3e84	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-056r-5921800000-485a79c4e3311f328cf1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9200000000-6e2fd4ae48d17fdbe9ae	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0000900000-f578c8db6d6baa91f146	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-0udi-1900000000-eada75fb37d52199dc57	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0901100000-8f9213d3d0d12989aa4e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-fe32d673485e026f7ffd	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0900000000-f9d9c2d10a52b1295c20	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0500900000-f643b08ebfbee486ac88	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056r-4900000000-614b7240ac447b1cf302	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-ebc82fc4fdc1243cf001	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0000900000-2f685e4ebf6e3f21813b	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9221200000-d3ab4261ce93db5c0d8f	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0900100000-b27de50984aa34aec15e	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-361a2474138028086bb3	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0921000000-ed51ef3ce7f119c2cbc3	2021-09-22	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	616.1
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	616.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	459.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	459.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	101.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	101.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	302.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	302.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	327.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	327.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	244.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	244.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	508.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	508.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	847.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	847.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	741.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	741.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	150.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	150.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	397.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	397.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	167.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	167.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	42.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	42.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	525.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	525.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	931.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	931.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	60.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	60.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	245.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	245.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	653.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	653.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	589.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	589.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	dGDP_TMS_1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard non polar	2025-10-23	3038.69
Gas Chromatography	dGDP_TMS_2	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)OP(=O)(O)O	standard non polar	2025-10-23	1470.43
Gas Chromatography	dGDP_TMS_3	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O	standard non polar	2025-10-23	694.427
Gas Chromatography	dGDP_TMS_4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]1	standard non polar	2025-10-23	2740.97
Gas Chromatography	dGDP_TMS_5	C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C1=O	standard non polar	2025-10-23	1765.66
Gas Chromatography	dGDP_TMS_6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard non polar	2025-10-23	1681.94
Gas Chromatography	dGDP_TMS_7	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1100.26
Gas Chromatography	dGDP_TMS_8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]1	standard non polar	2025-10-23	2102.75
Gas Chromatography	dGDP_TMS_9	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard non polar	2025-10-23	1471.39
Gas Chromatography	dGDP_TMS_10	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1960.83
Gas Chromatography	dGDP_TMS_11	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]1	standard non polar	2025-10-23	2184.77
Gas Chromatography	dGDP_TMS_12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O)O	standard non polar	2025-10-23	1698.49
Gas Chromatography	dGDP_TMS_13	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O	standard non polar	2025-10-23	2802.18
Gas Chromatography	dGDP_TMS_14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	1988.12
Gas Chromatography	dGDP_TMS_15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard non polar	2025-10-23	1954.7
Gas Chromatography	dGDP_TMS_16	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C	standard non polar	2025-10-23	1545.64
Gas Chromatography	dGDP_TMS_17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	2002.73
Gas Chromatography	dGDP_TMS_18	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	690.559
Gas Chromatography	dGDP_TMS_19	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]1	standard non polar	2025-10-23	3263.4
Gas Chromatography	dGDP_TMS_20	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard non polar	2025-10-23	1956.56
Gas Chromatography	dGDP_TMS_21	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1420.21
Gas Chromatography	dGDP_TMS_22	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	2102.61
Gas Chromatography	dGDP_TMS_23	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	2109.08
Gas Chromatography	dGDP_TMS_24	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard non polar	2025-10-23	2160.29
Gas Chromatography	dGDP_TMS_25	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	2794.29
Gas Chromatography	dGDP_TMS_26	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2428.8
Gas Chromatography	dGDP_TMS_27	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	2170.19
Gas Chromatography	dGDP_TMS_28	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1748.6
Gas Chromatography	dGDP_TMS_29	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)OP(=O)(O)O	standard non polar	2025-10-23	2374.19
Gas Chromatography	dGDP_TMS_30	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	2773.27
Gas Chromatography	dGDP_TMS_31	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	1950.88
Gas Chromatography	dGDP_TMS_32	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard non polar	2025-10-23	2125.68
Gas Chromatography	dGDP_TMS_33	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O	standard non polar	2025-10-23	2438.7
Gas Chromatography	dGDP_TMS_34	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	2440.56
Gas Chromatography	dGDP_TMS_35	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2189.69
Gas Chromatography	dGDP_TMS_36	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	859.012
Gas Chromatography	dGDP_TMS_37	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	1644.15
Gas Chromatography	dGDP_TMS_38	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	972.783
Gas Chromatography	dGDP_TMS_39	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard non polar	2025-10-23	2175.41
Gas Chromatography	dGDP_TMS_40	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	2710.16
Gas Chromatography	dGDP_TMS_41	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	2217.99
Gas Chromatography	dGDP_TMS_42	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1178.3
Gas Chromatography	dGDP_TMS_43	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1621.36
Gas Chromatography	dGDP_TMS_44	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	1845.89
Gas Chromatography	dGDP_TMS_45	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard non polar	2025-10-23	1315.21
Gas Chromatography	dGDP_TMS_46	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	2055.22
Gas Chromatography	dGDP_TMS_47	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2595.79
Gas Chromatography	dGDP_TMS_48	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1639.86
Gas Chromatography	dGDP_TMS_49	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	1635.47
Gas Chromatography	dGDP_TMS_50	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O)O	standard non polar	2025-10-23	2383.31
Gas Chromatography	dGDP_TMS_51	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O	standard non polar	2025-10-23	1983.76
Gas Chromatography	dGDP_TMS_52	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	1378.72
Gas Chromatography	dGDP_TMS_53	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard non polar	2025-10-23	1911.32
Gas Chromatography	dGDP_TMS_54	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard non polar	2025-10-23	2181.23
Gas Chromatography	dGDP_TMS_55	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2639.51
Gas Chromatography	dGDP_TMS_56	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	2444.42
Gas Chromatography	dGDP_TMS_57	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	2301.09
Gas Chromatography	dGDP_TMS_58	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard non polar	2025-10-23	1017.42
Gas Chromatography	dGDP_TMS_59	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2682.53
Gas Chromatography	dGDP_TMS_60	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	1908.54
Gas Chromatography	dGDP_TMS_61	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	3447.45
Gas Chromatography	dGDP_TMS_62	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1972.23
Gas Chromatography	dGDP_TMS_63	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	3901.67
Gas Chromatography	dGDP_TMS_64	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1193.88
Gas Chromatography	dGDP_TMS_65	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard non polar	2025-10-23	2138.98
Gas Chromatography	dGDP_TMS_66	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1300.58
Gas Chromatography	dGDP_TMS_67	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-23	2306.06
Gas Chromatography	dGDP_TMS_68	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1959.79
Gas Chromatography	dGDP_TMS_69	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	861.249
Gas Chromatography	dGDP_TMS_70	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1286.06
Gas Chromatography	dGDP_TMS_1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard polar	2025-10-23	3140.38
Gas Chromatography	dGDP_TMS_2	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)OP(=O)(O)O	standard polar	2025-10-23	1624.45
Gas Chromatography	dGDP_TMS_3	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O	standard polar	2025-10-23	2115.15
Gas Chromatography	dGDP_TMS_4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]1	standard polar	2025-10-23	1949.11
Gas Chromatography	dGDP_TMS_5	C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C1=O	standard polar	2025-10-23	2134.25
Gas Chromatography	dGDP_TMS_6	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard polar	2025-10-23	1762.12
Gas Chromatography	dGDP_TMS_7	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2187.2
Gas Chromatography	dGDP_TMS_8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]1	standard polar	2025-10-23	2595.23
Gas Chromatography	dGDP_TMS_9	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard polar	2025-10-23	1925.88
Gas Chromatography	dGDP_TMS_10	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	3626.67
Gas Chromatography	dGDP_TMS_11	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]1	standard polar	2025-10-23	2452.57
Gas Chromatography	dGDP_TMS_12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O)O	standard polar	2025-10-23	2841.5
Gas Chromatography	dGDP_TMS_13	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O	standard polar	2025-10-23	2286.35
Gas Chromatography	dGDP_TMS_14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	1957.56
Gas Chromatography	dGDP_TMS_15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard polar	2025-10-23	2338.57
Gas Chromatography	dGDP_TMS_16	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C	standard polar	2025-10-23	2118.17
Gas Chromatography	dGDP_TMS_17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	2273.09
Gas Chromatography	dGDP_TMS_18	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1138.05
Gas Chromatography	dGDP_TMS_19	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]1	standard polar	2025-10-23	1786.83
Gas Chromatography	dGDP_TMS_20	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard polar	2025-10-23	500.321
Gas Chromatography	dGDP_TMS_21	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2011.52
Gas Chromatography	dGDP_TMS_22	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	1831.61
Gas Chromatography	dGDP_TMS_23	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1791.55
Gas Chromatography	dGDP_TMS_24	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard polar	2025-10-23	1147.89
Gas Chromatography	dGDP_TMS_25	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	3463.65
Gas Chromatography	dGDP_TMS_26	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3539.25
Gas Chromatography	dGDP_TMS_27	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	2506.54
Gas Chromatography	dGDP_TMS_28	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	1457.11
Gas Chromatography	dGDP_TMS_29	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)OP(=O)(O)O	standard polar	2025-10-23	2158.47
Gas Chromatography	dGDP_TMS_30	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	2038.42
Gas Chromatography	dGDP_TMS_31	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	1833.83
Gas Chromatography	dGDP_TMS_32	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard polar	2025-10-23	1624.2
Gas Chromatography	dGDP_TMS_33	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O	standard polar	2025-10-23	1737.31
Gas Chromatography	dGDP_TMS_34	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	2871.21
Gas Chromatography	dGDP_TMS_35	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1475.69
Gas Chromatography	dGDP_TMS_36	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	887.509
Gas Chromatography	dGDP_TMS_37	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	2414.11
Gas Chromatography	dGDP_TMS_38	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	681.596
Gas Chromatography	dGDP_TMS_39	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard polar	2025-10-23	1323.25
Gas Chromatography	dGDP_TMS_40	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	2145.93
Gas Chromatography	dGDP_TMS_41	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	2073.65
Gas Chromatography	dGDP_TMS_42	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1581.34
Gas Chromatography	dGDP_TMS_43	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1931.44
Gas Chromatography	dGDP_TMS_44	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	2307.86
Gas Chromatography	dGDP_TMS_45	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	standard polar	2025-10-23	708.014
Gas Chromatography	dGDP_TMS_46	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	2271.85
Gas Chromatography	dGDP_TMS_47	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3339.23
Gas Chromatography	dGDP_TMS_48	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	1094.02
Gas Chromatography	dGDP_TMS_49	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	1800.01
Gas Chromatography	dGDP_TMS_50	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O)O	standard polar	2025-10-23	1365.38
Gas Chromatography	dGDP_TMS_51	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O	standard polar	2025-10-23	2210.89
Gas Chromatography	dGDP_TMS_52	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	2387.4
Gas Chromatography	dGDP_TMS_53	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard polar	2025-10-23	2848.84
Gas Chromatography	dGDP_TMS_54	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	standard polar	2025-10-23	2547.61
Gas Chromatography	dGDP_TMS_55	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2973.51
Gas Chromatography	dGDP_TMS_56	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1022.59
Gas Chromatography	dGDP_TMS_57	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	2175.62
Gas Chromatography	dGDP_TMS_58	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	standard polar	2025-10-23	2904.8
Gas Chromatography	dGDP_TMS_59	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2760.14
Gas Chromatography	dGDP_TMS_60	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	3293.4
Gas Chromatography	dGDP_TMS_61	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1606.12
Gas Chromatography	dGDP_TMS_62	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1146.87
Gas Chromatography	dGDP_TMS_63	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	1523.85
Gas Chromatography	dGDP_TMS_64	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	3552.1
Gas Chromatography	dGDP_TMS_65	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O	standard polar	2025-10-23	1290.94
Gas Chromatography	dGDP_TMS_66	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1696.97
Gas Chromatography	dGDP_TMS_67	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	standard polar	2025-10-23	1536.42
Gas Chromatography	dGDP_TMS_68	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2412.38
Gas Chromatography	dGDP_TMS_69	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1444.92
Gas Chromatography	dGDP_TMS_70	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1436.25

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria
Nucleus

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
MMDBp0191778	Uridine-cytidine kinase 1	Unknown	Q9HA47	Homo sapiens
MMDBp0191779	Nucleoside diphosphate kinase, mitochondrial	Unknown	O00746	Homo sapiens
MMDBp0191780	Ribonucleoside-diphosphate reductase large subunit	Enzyme	P23921	Homo sapiens
MMDBp0191781	Nucleoside diphosphate kinase A	Unknown	P15531	Homo sapiens
MMDBp0191782	Nucleoside diphosphate kinase 7	Unknown	Q9Y5B8	Homo sapiens
MMDBp0191783	Ribonucleoside-diphosphate reductase subunit M2	Unknown	P31350	Homo sapiens
MMDBp0191784	Nucleoside diphosphate kinase B	Unknown	P22392	Homo sapiens
MMDBp0191785	Nucleoside diphosphate kinase 3	Unknown	Q13232	Homo sapiens
MMDBp0191786	Nucleoside diphosphate kinase 6	Unknown	O75414	Homo sapiens
MMDBp0192385	Pyruvate kinase isozymes M1/M2	Unknown	P14618	Homo sapiens
MMDBp0192387	Pyruvate kinase isozymes R/L	Unknown	P30613	Homo sapiens
MMDBp0192548	Guanylate kinase	Enzyme	Q16774	Homo sapiens
MMDBp0193590	Uridine-cytidine kinase 2	Unknown	Q9BZX2	Homo sapiens
MMDBp0194182	Ribonucleoside-diphosphate reductase subunit M2 B	Unknown	Q7LG56	Homo sapiens
MMDBp0194185	Uridine-cytidine kinase-like 1	Enzyme	Q9NWZ5	Homo sapiens
MMDBp0196906	Nucleoside diphosphate kinase homolog 5	Unknown	P56597

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Purine Nucleotides De Novo Biosynthesis		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Escherichia coli CFT073 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Salmonella enterica Shewanella denitrificans OS217 Megamonas hypermegale Pseudomonas fluorescens Pseudomonas putida Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Vibrio vulnificus Corynebacterium diphtheriae Thiobacillus denitrificans Enterobacter cancerogenus Methylibium petroleiphilum Citrobacter youngae Shewanella denitrificans Escherichia albertii Citrobacter koseri ATCC BAA-895 Cronobacter sakazakii ATCC BAA-894 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Escherichia coli 042 Edwardsiella tarda FL6-60 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella flexneri 5 str. 8401 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio mimicus Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Ralstonia eutropha H16 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Candidatus Desulforudis audaxviator MP104C Corynebacterium diphtheriae NCTC 13129 Klebsiella aerogenes KCTC 2190 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Rhodoferax ferrireducens T118 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Herminiimonas arsenicoxydans Klebsiella pneumoniae 342 Marinobacter aquaeolei VT8 Methylibium petroleiphilum PM1 Methylotenera mobilis JLW8 Chromobacterium violaceum ATCC 12472 Pantoea ananatis LMG 20103 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photobacterium profundum SS9 Polaromonas sp. JS666 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Salmonella enterica subsp. enterica serovar Paratyphi A str. Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shigella flexneri 2a str. 301 Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25
Purine Nucleotides De Novo Biosynthesis 2

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018524	Guanosine diphosphate	Water	Anaerobic ribonucleoside-triphosphate reductase	Reduction	PathBank	31602464
MMDBr0018525	Adenosine triphosphate	dGTP	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018526	Guanosine diphosphate	Water	Ribonucleoside-diphosphate reductase 2 subunit beta	Reduction	PathBank	31602464
MMDBr0019853	Guanosine diphosphate	Water	Unknown Protein		PathBank	31602464
MMDBr0019854	Adenosine triphosphate	dGTP	Unknown Protein		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	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	389	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	181	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	132	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	2	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

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

HMDB0000960

DrugBank ID

DB03491

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Deoxyguanosine_diphosphate

METLIN ID

5906

PubChem Compound

439220

PDB ID

Not Available

ChEBI ID

28862

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Nomanbhoy TK, Leonard DA, Manor D, Cerione RA: Investigation of the GTP-binding/GTPase cycle of Cdc42Hs using extrinsic reporter group fluorescence. Biochemistry. 1996 Apr 9;35(14):4602-8. doi: 10.1021/bi951743d. [PubMed:8605211 ]
Brady WA, Kokoris MS, Fitzgibbon M, Black ME: Cloning, characterization, and modeling of mouse and human guanylate kinases. J Biol Chem. 1996 Jul 12;271(28):16734-40. doi: 10.1074/jbc.271.28.16734. [PubMed:8663313 ]
Rothwell PS: The new MFGDP (UK) examination (formerly, the DGDP [UK]) Br Dent J. 1999 Oct 9;187(7):354-6. doi: 10.1038/sj.bdj.4800279. [PubMed:10581811 ]
Kumar V, Spangenberg O, Konrad M: Cloning of the guanylate kinase homologues AGK-1 and AGK-2 from Arabidopsis thaliana and characterization of AGK-1. Eur J Biochem. 2000 Jan;267(2):606-15. doi: 10.1046/j.1432-1327.2000.01045.x. [PubMed:10632732 ]
Bialkowski K, Kasprzak KS: Inhibition of 8-oxo-2'-deoxyguanosine 5'-triphosphate pyrophosphohydrolase (8-oxo-dGTPase) activity of the antimutagenic human MTH1 protein by nucleoside 5'-diphosphates. Free Radic Biol Med. 2003 Sep 15;35(6):595-602. doi: 10.1016/s0891-5849(03)00362-9. [PubMed:12957652 ]

Showing metabocard for dGDP (MMDBc0029518)

MOL for #<Metabolite:0x00007f9af210cb08>

3D MOL for #<Metabolite:0x00007f9af210cb08>

3D SDF for #<Metabolite:0x00007f9af210cb08>

3D-SDF for #<Metabolite:0x00007f9af210cb08>

PDB for #<Metabolite:0x00007f9af210cb08>

3D PDB for #<Metabolite:0x00007f9af210cb08>

SMILES for #<Metabolite:0x00007f9af210cb08>

INCHI for #<Metabolite:0x00007f9af210cb08>

Structure for #<Metabolite:0x00007f9af210cb08>

3D Structure for #<Metabolite:0x00007f9af210cb08>