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enzymes (230) Show 230 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:48:15 UTC

HMDB ID

HMDB0001201

Secondary Accession Numbers

HMDB01201

Metabolite Identification

Common Name

Guanosine diphosphate

Description

Guanosine diphosphate, also known as 5'-GDP or 5'-diphosphate, guanosine, belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. Guanosine diphosphate exists in all living species, ranging from bacteria to humans. In humans, guanosine diphosphate is involved in intracellular signalling through adenosine receptor A2B and adenosine. Outside of the human body, Guanosine diphosphate has been detected, but not quantified in several different foods, such as devilfish, java plums, green beans, almonds, and orange mints. Guanosine diphosphate is a purine ribonucleoside 5'-diphosphate resulting from the formal condensation of the hydroxy group at the 5' position of guanosine with pyrophosphoric acid.

Structure

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


  Mrv1652308122017292D          

 28 30  0  0  1  0            999 V2000
   -0.1676   -6.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5800   -6.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6574   -6.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0699   -6.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225   -5.4654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9124   -5.4654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9642   -4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767   -5.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -5.2519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7892   -4.4673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -6.5574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7978   -5.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546   -5.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -6.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3076   -7.7388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840   -6.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449   -4.9805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6498   -5.2521    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -5.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2194   -5.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7947   -5.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0804   -5.2521    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3641   -5.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18  5  1  0  0  0  0
 18  6  1  0  0  0  0
  5  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  6  1  0  0  0  0
  1  2  1  6  0  0  0
  3  4  1  6  0  0  0
  6 10  1  1  0  0  0
 11  7  2  0  0  0  0
 11  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  2  0  0  0  0
  9 13  1  0  0  0  0
 12 15  2  0  0  0  0
 15 17  1  0  0  0  0
 17 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 19  1  0  0  0  0
  5 23  1  1  0  0  0
M  END

HMDB0001201
     RDKit          3D
Guanosine diphosphate
 43 45  0  0  0  0  0  0  0  0999 V2000
   -5.9998   -1.0235    2.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4455   -0.2140    0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1192   -0.1077    0.8760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4923    0.6361   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859    1.3029   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    1.9548   -1.8017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822    1.6957   -1.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006    0.8820   -0.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112    0.3279    0.4235 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1266    0.7055   -0.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717   -0.3964    0.1566 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2512   -0.2615   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.8949   -0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    1.1576   -0.9624 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.8757    2.5109   -0.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    1.1856   -2.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5166    0.0055   -0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    0.5266    0.7376 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.0459    1.9299    1.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0988    0.4758    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   -0.4929    2.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -1.5217   -0.3613 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5744   -2.7665    0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -1.1769    0.3356 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1584   -1.6896    1.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6536    1.1682   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3693    1.7809   -1.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2294    0.4262    0.0928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7348   -1.7294    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6597   -0.9049    2.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890    2.0717   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397    0.6733    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835   -0.5973    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.2965   -1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040   -1.1095   -0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    0.7204   -3.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2635   -0.3165   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9070   -1.3793    1.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314   -1.4510   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -3.4269   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -1.5152   -0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773   -0.9694    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2733    0.3140    0.1988 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
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 11 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  1  0
  8  4  1  0
 24  9  1  0
  1 29  1  0
  1 30  1  0
  7 31  1  0
  9 32  1  1
 11 33  1  1
 12 34  1  0
 12 35  1  0
 16 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  6
 23 40  1  0
 24 41  1  6
 25 42  1  0
 28 43  1  0
M  END


  Mrv1652308122017292D          

 28 30  0  0  1  0            999 V2000
   -0.1676   -6.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5800   -6.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6574   -6.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0699   -6.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225   -5.4654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9124   -5.4654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9642   -4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767   -5.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -5.2519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7892   -4.4673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -6.5574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7978   -5.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546   -5.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -6.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3076   -7.7388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840   -6.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449   -4.9805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6498   -5.2521    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -5.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2194   -5.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7947   -5.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0804   -5.2521    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3641   -5.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -4.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18  5  1  0  0  0  0
 18  6  1  0  0  0  0
  5  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  6  1  0  0  0  0
  1  2  1  6  0  0  0
  3  4  1  6  0  0  0
  6 10  1  1  0  0  0
 11  7  2  0  0  0  0
 11  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  2  0  0  0  0
  9 13  1  0  0  0  0
 12 15  2  0  0  0  0
 15 17  1  0  0  0  0
 17 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 19  1  0  0  0  0
  5 23  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0001201

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

> <INCHI_KEY>
QGWNDRXFNXRZMB-UUOKFMHZSA-N

> <FORMULA>
C10H15N5O11P2

> <MOLECULAR_WEIGHT>
443.2005

> <EXACT_MASS>
443.024329371

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
34.739486370128645

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.51

> <JCHEM_LOGP>
-3.7243866562591625

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.3024767112356916

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7094768764485213

> <JCHEM_PKA_STRONGEST_BASIC>
2.553880812380109

> <JCHEM_POLAR_SURFACE_AREA>
248.28

> <JCHEM_REFRACTIVITY>
85.93349999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.44e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001201
     RDKit          3D
Guanosine diphosphate
 43 45  0  0  0  0  0  0  0  0999 V2000
   -5.9998   -1.0235    2.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4455   -0.2140    0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1192   -0.1077    0.8760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4923    0.6361   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859    1.3029   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    1.9548   -1.8017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822    1.6957   -1.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006    0.8820   -0.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112    0.3279    0.4235 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1266    0.7055   -0.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717   -0.3964    0.1566 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2512   -0.2615   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.8949   -0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    1.1576   -0.9624 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.8757    2.5109   -0.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    1.1856   -2.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5166    0.0055   -0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    0.5266    0.7376 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.0459    1.9299    1.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0988    0.4758    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   -0.4929    2.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -1.5217   -0.3613 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5744   -2.7665    0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -1.1769    0.3356 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1584   -1.6896    1.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6536    1.1682   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3693    1.7809   -1.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2294    0.4262    0.0928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7348   -1.7294    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6597   -0.9049    2.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890    2.0717   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397    0.6733    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835   -0.5973    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.2965   -1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040   -1.1095   -0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    0.7204   -3.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2635   -0.3165   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9070   -1.3793    1.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314   -1.4510   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -3.4269   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -1.5152   -0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773   -0.9694    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2733    0.3140    0.1988 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
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 11 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  1  0
  8  4  1  0
 24  9  1  0
  1 29  1  0
  1 30  1  0
  7 31  1  0
  9 32  1  1
 11 33  1  1
 12 34  1  0
 12 35  1  0
 16 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  6
 23 40  1  0
 24 41  1  6
 25 42  1  0
 28 43  1  0
M  END

HEADER    PROTEIN                                 12-AUG-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-AUG-20         0                                  
HETATM    1  C   UNK     0      -0.313 -11.667   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.083 -13.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.227 -11.667   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.997 -13.000   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.789 -10.202   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.703 -10.202   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.667  -8.339   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.437 -10.709   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.682  -9.804   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       3.191  -9.804   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       5.207  -8.339   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       4.597 -12.240   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       7.089 -10.430   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.315  -9.478   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.004 -12.867   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       6.174 -14.446   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0       7.250 -11.962   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0       0.457  -9.297   0.000  0.00  0.00           O+0
HETATM   19  P   UNK     0      -4.946  -9.804   0.000  0.00  0.00           P+0
HETATM   20  O   UNK     0      -5.717  -8.463   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -3.609 -10.574   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.176  -8.463   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.276  -9.804   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -8.950 -10.574   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0      -7.617  -9.804   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0      -8.387  -8.463   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.280 -10.574   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.846  -8.463   0.000  0.00  0.00           O+0
CONECT    1    5    3    2                                                  
CONECT    2    1                                                            
CONECT    3    1    6    4                                                  
CONECT    4    3                                                            
CONECT    5   18    1   23                                                  
CONECT    6   18    3   10                                                  
CONECT    7   11   10                                                       
CONECT    8   10   12    9                                                  
CONECT    9   11    8   13                                                  
CONECT   10    6    7    8                                                  
CONECT   11    7    9                                                       
CONECT   12    8   15                                                       
CONECT   13    9   17   14                                                  
CONECT   14   13                                                            
CONECT   15   12   17   16                                                  
CONECT   16   15                                                            
CONECT   17   15   13                                                       
CONECT   18    5    6                                                       
CONECT   19   20   21   22   27                                             
CONECT   20   19                                                            
CONECT   21   19   23                                                       
CONECT   22   19                                                            
CONECT   23   21    5                                                       
CONECT   24   25                                                            
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25   19                                                       
CONECT   28   25                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END

COMPND    HMDB0001201
HETATM    1  N1  UNL     1      -6.000  -1.023   2.003  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.446  -0.214   0.963  1.00  0.00           C  
HETATM    3  N2  UNL     1      -4.119  -0.108   0.876  1.00  0.00           N  
HETATM    4  C2  UNL     1      -3.492   0.636  -0.074  1.00  0.00           C  
HETATM    5  C3  UNL     1      -4.286   1.303  -0.980  1.00  0.00           C  
HETATM    6  N3  UNL     1      -3.445   1.955  -1.802  1.00  0.00           N  
HETATM    7  C4  UNL     1      -2.182   1.696  -1.412  1.00  0.00           C  
HETATM    8  N4  UNL     1      -2.201   0.882  -0.346  1.00  0.00           N  
HETATM    9  C5  UNL     1      -1.111   0.328   0.424  1.00  0.00           C  
HETATM   10  O1  UNL     1       0.127   0.705  -0.033  1.00  0.00           O  
HETATM   11  C6  UNL     1       0.972  -0.396   0.157  1.00  0.00           C  
HETATM   12  C7  UNL     1       2.251  -0.261  -0.615  1.00  0.00           C  
HETATM   13  O2  UNL     1       2.891   0.895  -0.164  1.00  0.00           O  
HETATM   14  P1  UNL     1       4.354   1.158  -0.962  1.00  0.00           P  
HETATM   15  O3  UNL     1       4.876   2.511  -0.540  1.00  0.00           O  
HETATM   16  O4  UNL     1       4.165   1.186  -2.642  1.00  0.00           O  
HETATM   17  O5  UNL     1       5.517   0.005  -0.561  1.00  0.00           O  
HETATM   18  P2  UNL     1       6.431   0.527   0.738  1.00  0.00           P  
HETATM   19  O6  UNL     1       6.046   1.930   1.193  1.00  0.00           O  
HETATM   20  O7  UNL     1       8.099   0.476   0.408  1.00  0.00           O  
HETATM   21  O8  UNL     1       6.176  -0.493   2.077  1.00  0.00           O  
HETATM   22  C8  UNL     1       0.099  -1.522  -0.361  1.00  0.00           C  
HETATM   23  O9  UNL     1       0.574  -2.766   0.040  1.00  0.00           O  
HETATM   24  C9  UNL     1      -1.201  -1.177   0.336  1.00  0.00           C  
HETATM   25  O10 UNL     1      -1.158  -1.690   1.625  1.00  0.00           O  
HETATM   26  C10 UNL     1      -5.654   1.168  -0.857  1.00  0.00           C  
HETATM   27  O11 UNL     1      -6.369   1.781  -1.689  1.00  0.00           O  
HETATM   28  N5  UNL     1      -6.229   0.426   0.093  1.00  0.00           N  
HETATM   29  H1  UNL     1      -6.735  -1.729   1.816  1.00  0.00           H  
HETATM   30  H2  UNL     1      -5.660  -0.905   2.975  1.00  0.00           H  
HETATM   31  H3  UNL     1      -1.289   2.072  -1.870  1.00  0.00           H  
HETATM   32  H4  UNL     1      -1.240   0.673   1.470  1.00  0.00           H  
HETATM   33  H5  UNL     1       1.183  -0.597   1.213  1.00  0.00           H  
HETATM   34  H6  UNL     1       2.127  -0.296  -1.698  1.00  0.00           H  
HETATM   35  H7  UNL     1       2.904  -1.109  -0.322  1.00  0.00           H  
HETATM   36  H8  UNL     1       4.884   0.720  -3.111  1.00  0.00           H  
HETATM   37  H9  UNL     1       8.263  -0.316  -0.163  1.00  0.00           H  
HETATM   38  H10 UNL     1       5.907  -1.379   1.691  1.00  0.00           H  
HETATM   39  H11 UNL     1      -0.031  -1.451  -1.467  1.00  0.00           H  
HETATM   40  H12 UNL     1       0.437  -3.427  -0.693  1.00  0.00           H  
HETATM   41  H13 UNL     1      -2.085  -1.515  -0.238  1.00  0.00           H  
HETATM   42  H14 UNL     1      -1.077  -0.969   2.306  1.00  0.00           H  
HETATM   43  H15 UNL     1      -7.273   0.314   0.199  1.00  0.00           H  
CONECT    1    2   29   30
CONECT    2    3    3   28
CONECT    3    4
CONECT    4    5    5    8
CONECT    5    6   26
CONECT    6    7    7
CONECT    7    8   31
CONECT    8    9
CONECT    9   10   24   32
CONECT   10   11
CONECT   11   12   22   33
CONECT   12   13   34   35
CONECT   13   14
CONECT   14   15   15   16   17
CONECT   16   36
CONECT   17   18
CONECT   18   19   19   20   21
CONECT   20   37
CONECT   21   38
CONECT   22   23   24   39
CONECT   23   40
CONECT   24   25   41
CONECT   25   42
CONECT   26   27   27   28
CONECT   28   43
END

HMDB0001201
     RDKit          3D
Guanosine diphosphate
 43 45  0  0  0  0  0  0  0  0999 V2000
   -5.9998   -1.0235    2.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4455   -0.2140    0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1192   -0.1077    0.8760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4923    0.6361   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859    1.3029   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    1.9548   -1.8017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822    1.6957   -1.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006    0.8820   -0.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112    0.3279    0.4235 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1266    0.7055   -0.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717   -0.3964    0.1566 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2512   -0.2615   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.8949   -0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    1.1576   -0.9624 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.8757    2.5109   -0.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    1.1856   -2.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5166    0.0055   -0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    0.5266    0.7376 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.0459    1.9299    1.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0988    0.4758    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   -0.4929    2.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -1.5217   -0.3613 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5744   -2.7665    0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -1.1769    0.3356 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1584   -1.6896    1.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6536    1.1682   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3693    1.7809   -1.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2294    0.4262    0.0928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7348   -1.7294    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6597   -0.9049    2.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890    2.0717   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397    0.6733    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835   -0.5973    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.2965   -1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040   -1.1095   -0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    0.7204   -3.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2635   -0.3165   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9070   -1.3793    1.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314   -1.4510   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -3.4269   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -1.5152   -0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773   -0.9694    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2733    0.3140    0.1988 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
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 11 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  1  0
  8  4  1  0
 24  9  1  0
  1 29  1  0
  1 30  1  0
  7 31  1  0
  9 32  1  1
 11 33  1  1
 12 34  1  0
 12 35  1  0
 16 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  6
 23 40  1  0
 24 41  1  6
 25 42  1  0
 28 43  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Guanosine 5'-diphosphate	ChEBI
Guanosine 5'-diphosphoric acid	Generator
Guanosine diphosphoric acid	Generator
5'-GDP	HMDB
GDP	HMDB
Guanosine 5'-(trihydrogen pyrophosphate)	HMDB
Guanosine 5'-pyrophosphate	HMDB
Guanosine mono(trihydrogen diphosphate)	HMDB
Guanosine pyrophosphate	HMDB
Guanosine-5'-diphosphate	HMDB
Guanosine-diphosphate	HMDB
PpG	HMDB
5'-Diphosphate, guanosine	HMDB
Diphosphate, guanosine 5'-trihydrogen	HMDB
Guanosine 5' diphosphate	HMDB
Guanosine 5' trihydrogen diphosphate	HMDB
5'-Trihydrogen diphosphate, guanosine	HMDB
Diphosphate, guanosine	HMDB
Guanosine 5'-trihydrogen diphosphate	HMDB

Chemical Formula

C₁₀H₁₅N₅O₁₁P₂

Average Molecular Weight

443.2005

Monoisotopic Molecular Weight

443.024329371

IUPAC Name

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

Traditional Name

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

CAS Registry Number

146-91-8

SMILES

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

InChI Identifier

InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChI Key

QGWNDRXFNXRZMB-UUOKFMHZSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside diphosphates

Alternative Parents

Substituents

Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Organic pyrophosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
Pyrimidone
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Pyrimidine
Vinylogous amide
Tetrahydrofuran
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
1,2-diol
Organoheterocyclic compound
Azacycle
Oxacycle
Organooxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Alcohol
Amine
Organic oxygen compound
Primary amine
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

purine ribonucleoside 5'-diphosphate (CHEBI:17552 )
guanosine 5'-phosphate (CHEBI:17552 )
Ribonucleotides (C00035 )

Ontology

Physiological effect

Adverse health effect

Genetic disorder

Inborn errors of metabolism

Organic acidemia

Fumarase deficiency

Nervous system disorder

Canavan disease

Disposition

Biological location

Cellular substructure

Macromolecular complex

Blood

Ingestion

Process

Naturally occurring process

Warburg effect

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Spectral Properties

Experimental Collision Cross Sections

Predictor	Adduct Type	Data Source	CCS Value (Å²)	Reference
AllCCS	[M-H]-	Not Available	182.5	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000161
AllCCS	[M+H]+	Not Available	192.1	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000161

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.44 g/L	ALOGPS
logP	10^(-1.5) g/L	ALOGPS
logP	10^(-3.7) g/L	ChemAxon
logS	10^(-2) g/L	ALOGPS
pKa (Strongest Acidic)	1.71	ChemAxon
pKa (Strongest Basic)	2.55	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	248.28 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	85.93 m³·mol⁻¹	ChemAxon
Polarizability	34.74 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

Predicted Spectral Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	197.396	31661259
DarkChem	[M-H]-	187.643	31661259
AllCCS	[M+H]+	189.304	32859911
AllCCS	[M-H]-	182.038	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Guanosine diphosphate,1TMS,#1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O	3662.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TMS,#2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C(N)[NH]C2=O	3653.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TMS,#3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@H](O)[C@@H]1O)OP(=O)(O)O	3725.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TMS,#4	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@H](O)[C@@H]1O	3716.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TMS,#5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]1	3651.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TMS,#6	C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O	3663.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O[Si](C)(C)C	3521.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O	3585.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O	3579.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C(=O)[NH]1	3531.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)[C@@H]1O	3582.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#6	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C(N)[NH]C2=O	3572.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#7	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C1N=C(N)[NH]C2=O	3571.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C(=O)[NH]1	3531.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O	3576.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#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@H](O)[C@@H]1O)O[Si](C)(C)C	3626.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#11	C[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]1	3617.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#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@H](O)[C@@H]1O)OP(=O)(O)O	3658.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#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@H](O)[C@@H]1O	3630.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C(=O)[NH]1	3598.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#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@H](O)[C@@H]1O	3653.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#16	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]1)[Si](C)(C)C	3606.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TMS,#17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1[Si](C)(C)C	3640.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TBDMS,#1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O	3880.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TBDMS,#2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C(N)[NH]C2=O	3873.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TBDMS,#3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@H](O)[C@@H]1O)OP(=O)(O)O	3937.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TBDMS,#4	CC(C)(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@H](O)[C@@H]1O	3935.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TBDMS,#5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]1	3849.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,1TBDMS,#6	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O	3874.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3935.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O	3995.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@@H]1O	3986.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#4	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(=O)[NH]1	3899.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)[C@@H]1O	3981.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C(N)[NH]C2=O	3984.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C1N=C(N)[NH]C2=O	3977.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(=O)[NH]1	3901.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	3972.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#10	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4021.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#11	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]1	3970.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#12	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]1O)OP(=O)(O)O	4032.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#13	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@H](O)[C@@H]1O	4027.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#14	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C(=O)[NH]1	3968.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#15	CC(C)(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(C)(C)C)C3=O)[C@H](O)[C@@H]1O	4040.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#16	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	3992.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Guanosine diphosphate,2TBDMS,#17	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1[Si](C)(C)C(C)(C)C	4014.5	Semi standard non polar	https://arxiv.org/abs/1905.12712

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Guanosine diphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-5930200000-bdc0893316c12636a495	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Guanosine diphosphate GC-MS (2 TMS) - 70eV, Positive	splash10-0229-6393250000-a57b7f18975223fa888c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Guanosine diphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0udl-0900600000-5c7173a5771dfefadc5e	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-0udi-0900000000-d38af29994fa5108c331	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-0udi-0900000000-3072d857dcc8a1b2cbaa	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate , negative-QTOF	splash10-0kdi-5901100000-24a5c807e53370f01d0c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate , positive-QTOF	splash10-0udi-0900000000-6399eaf97235815c4cb7	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 35V, Positive-QTOF	splash10-0udi-0900000000-80f8e0b42526cc03fef4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 30V, Negative-QTOF	splash10-0pdl-2902100000-027fb059218f84756c35	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 30V, Negative-QTOF	splash10-0pdl-2902200000-876f01fe6b2be177ac75	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 30V, Negative-QTOF	splash10-0pdl-3902100000-054557b6d17ed830f7e5	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 40V, Negative-QTOF	splash10-004i-9600000000-2f85040f9b280383ec8a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 20V, Negative-QTOF	splash10-054o-5904800000-e39f64dcf91afa144498	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 10V, Negative-QTOF	splash10-0006-0001900000-cdce5e7d8986462632b2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Guanosine diphosphate 35V, Negative-QTOF	splash10-0kdi-5901100000-ba4bded631640c110a56	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 10V, Positive-QTOF	splash10-0udi-0911300000-fcd49d8a5e9d3dc3f933	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 20V, Positive-QTOF	splash10-0udi-0900000000-ded96f0f499982ac1ab0	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 40V, Positive-QTOF	splash10-0udi-0900000000-ac93e95f54842f42e273	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 10V, Negative-QTOF	splash10-0f6x-0900800000-1ed1199fdace4d1b4d80	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 20V, Negative-QTOF	splash10-0zir-3900000000-b9aeef613c34fe99a48c	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 40V, Negative-QTOF	splash10-004i-9200000000-f630c9237e72a76d3d63	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 10V, Positive-QTOF	splash10-0udi-0900200000-fa2d42f6050d9ab60119	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 20V, Positive-QTOF	splash10-0udi-0900000000-ed3d09503a04c850d595	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 40V, Positive-QTOF	splash10-0udi-0900000000-19a5699334c495daa4e5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 10V, Negative-QTOF	splash10-0006-0001900000-7b9b9276c5e39c703f8c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 20V, Negative-QTOF	splash10-004i-9202300000-fa0fbdc8c265ee49a371	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Guanosine diphosphate 40V, Negative-QTOF	splash10-004i-9100000000-278ab542160fff840256	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)	2012-12-04	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria
Nucleus
Golgi apparatus

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Citric Acid Cycle
Glycolysis / Gluconeogenesis	Not Available
Purine metabolism	Not Available
Aspartate Metabolism
Canavan Disease		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	15.0 +/- 2.0 uM	Adult (>18 years old)	Male	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	18.0 +/- 8.0 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	1.86 +/- 0.027 uM	Adult (>18 years old)	Both	Normal	15993662	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Cerebrospinal Fluid (CSF)	Detected and Quantified	2.11 +/- 1.93 uM	Adult (>18 years old)	Both	Rachialgia	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	4.05 +/- 0.03 uM	Adult (>18 years old)	Both	Subarachnoid hemorrhage	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.99 +/- 1.32 uM	Adult (>18 years old)	Both	Epilepsy	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	2.55 +/- 1.62 uM	Adult (>18 years old)	Both	Stroke	15993662	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	2.59 +/- 1.77 uM	Adult (>18 years old)	Both	Neuroinfection	15993662	details

Associated Disorders and Diseases

Disease References

Rachialgia
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Subarachnoid hemorrhage
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Epilepsy
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Stroke
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]
Neuroinfection
Czarnecka J, Cieslak M, Michal K: Application of solid phase extraction and high-performance liquid chromatography to qualitative and quantitative analysis of nucleotides and nucleosides in human cerebrospinal fluid. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 5;822(1-2):85-90. [PubMed:15993662 ]

Associated OMIM IDs

105800 (Subarachnoid hemorrhage)
601367 (Stroke)

External Links

DrugBank ID

DB04315

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030875

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Guanosine diphosphate

METLIN ID

6077

PubChem Compound

8977

PDB ID

Not Available

ChEBI ID

17552

Food Biomarker Ontology

Not Available

VMH ID

GDP

MarkerDB ID

MDB00000308

Good Scents ID

Not Available

References

Synthesis Reference

Edlin, Gordon; Donini, P. Synthesis of guanosine 5'-diphosphate, 2'-(or 3'-) diphosphate, and related nucleotides in a variety of physiological conditions. Journal of Biological Chemistry (1971), 246(13), 4371-3.

Material Safety Data Sheet (MSDS)

Not Available

General References

Chantin C, Bonin B, Boulieu R, Bory C: Liquid-chromatographic study of purine metabolism abnormalities in purine nucleoside phosphorylase deficiency. Clin Chem. 1996 Feb;42(2):326-8. [PubMed:8595732 ]

Only showing the first 10 proteins. There are 230 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Ectonucleoside triphosphate diphosphohydrolase 1

General function:: Involved in hydrolase activity
Specific function:: In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:: ENTPD1
Uniprot ID:: P49961
Molecular weight:: 58706.0

Reactions

Guanosine diphosphate + Water → Guanosine monophosphate + Phosphate	details
Guanosine triphosphate + Water → Guanosine diphosphate + Phosphate	details

Enzyme Details

2. Soluble calcium-activated nucleotidase 1

General function:: Involved in calcium ion binding
Specific function:: Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:: CANT1
Uniprot ID:: Q8WVQ1
Molecular weight:: 44839.24

Reactions

Guanosine diphosphate + Water → Guanosine monophosphate + Phosphate	details

Enzyme Details

3. Ectonucleoside triphosphate diphosphohydrolase 3

General function:: Involved in hydrolase activity
Specific function:: Has a threefold preference for the hydrolysis of ATP over ADP.
Gene Name:: ENTPD3
Uniprot ID:: O75355
Molecular weight:: 59104.76

Reactions

Guanosine diphosphate + Water → Guanosine monophosphate + Phosphate	details
Guanosine triphosphate + Water → Guanosine diphosphate + Phosphate	details

Enzyme Details

4. Uridine-cytidine kinase 1

General function:: Involved in ATP binding
Specific function:: Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate donor. Can also phosphorylate cytidine and uridine nucleoside analogs such as 6-azauridine, 5-fluorouridine, 4-thiouridine, 5-bromouridine, N(4)-acetylcytidine, N(4)-benzoylcytidine, 5-fluorocytidine, 2-thiocytidine, 5-methylcytidine, and N(4)-anisoylcytidine.
Gene Name:: UCK1
Uniprot ID:: Q9HA47
Molecular weight:: 22760.43

Reactions

Guanosine triphosphate + Cytidine → Guanosine diphosphate + Cytidine monophosphate	details
Guanosine triphosphate + Uridine → Guanosine diphosphate + Uridine 5'-monophosphate	details

Enzyme Details

5. Nucleoside diphosphate kinase, mitochondrial

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:: NME4
Uniprot ID:: O00746
Molecular weight:: 20658.45

Reactions

Adenosine triphosphate + Guanosine diphosphate → ADP + Guanosine triphosphate	details

Enzyme Details

6. Ribonucleoside-diphosphate reductase large subunit

General function:: Involved in oxidation reduction
Specific function:: Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides.
Gene Name:: RRM1
Uniprot ID:: P23921
Molecular weight:: 90069.375

Reactions

dGDP + Thioredoxin disulfide + Water → Guanosine diphosphate + Thioredoxin	details

Enzyme Details

7. Nucleoside diphosphate kinase A

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:: NME1
Uniprot ID:: P15531
Molecular weight:: 17148.635

Reactions

Adenosine triphosphate + Guanosine diphosphate → ADP + Guanosine triphosphate	details

Enzyme Details

8. Nucleoside diphosphate kinase 7

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:: NME7
Uniprot ID:: Q9Y5B8
Molecular weight:: 42491.365

Reactions

Adenosine triphosphate + Guanosine diphosphate → ADP + Guanosine triphosphate	details

Enzyme Details

9. Ribonucleoside-diphosphate reductase subunit M2

General function:: Involved in oxidoreductase activity
Specific function:: Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides. Inhibits Wnt signaling.
Gene Name:: RRM2
Uniprot ID:: P31350
Molecular weight:: 44877.25

Reactions

dGDP + Thioredoxin disulfide + Water → Guanosine diphosphate + Thioredoxin	details

Enzyme Details

10. Nucleoside diphosphate kinase B

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:: NME2
Uniprot ID:: P22392
Molecular weight:: 30136.92

Reactions

Adenosine triphosphate + Guanosine diphosphate → ADP + Guanosine triphosphate	details

Only showing the first 10 proteins. There are 230 proteins in total.

Show all enzymes and transporters

Showing metabocard for Guanosine diphosphate (HMDB0001201)

MOL for HMDB0001201 (Guanosine diphosphate)

3D MOL for HMDB0001201 (Guanosine diphosphate)

3D SDF for HMDB0001201 (Guanosine diphosphate)

3D-SDF for HMDB0001201 (Guanosine diphosphate)

PDB for HMDB0001201 (Guanosine diphosphate)

3D PDB for HMDB0001201 (Guanosine diphosphate)

SMILES for HMDB0001201 (Guanosine diphosphate)

INCHI for HMDB0001201 (Guanosine diphosphate)

Structure for HMDB0001201 (Guanosine diphosphate)

3D Structure for HMDB0001201 (Guanosine diphosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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