MiMeDB: Showing metabocard for Guanosine diphosphate (MMDBc0029588)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:33:24 UTC

Update Date

2024-10-13 06:45:39 UTC

Metabolite ID

MMDBc0029588

Metabolite Identification

Common Name

Guanosine diphosphate

Description

Guanosine 5'-(trihydrogen diphosphate). A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. It is an ester of pyrophosphoric acid with the nucleoside guanosine. GDP consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase guanine. GDP is the product of GTP dephosphorylation by GTPases, e.g. the G-proteins that are involved in signal transduction.

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>
MMDBc0029588

> <DATABASE_NAME>
MIME

> <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

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

Molecular Formula

C₁₀H₁₅N₅O₁₁P₂

Average Mass

443.2005

Monoisotopic Mass

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 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.44 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-3.7	ChemAxon
logS	-2	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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-5930200000-bdc0893316c12636a495	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0229-6393250000-a57b7f18975223fa888c	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
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0udl-0900600000-5c7173a5771dfefadc5e	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0udi-0900000000-d38af29994fa5108c331	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-0udi-0900000000-3072d857dcc8a1b2cbaa	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-0kdi-5901100000-24a5c807e53370f01d0c	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-0udi-0900000000-6399eaf97235815c4cb7	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-0udi-0900000000-80f8e0b42526cc03fef4	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-0pdl-2902100000-027fb059218f84756c35	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-0pdl-2902200000-876f01fe6b2be177ac75	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-0pdl-3902100000-054557b6d17ed830f7e5	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9600000000-2f85040f9b280383ec8a	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-054o-5904800000-e39f64dcf91afa144498	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0001900000-cdce5e7d8986462632b2	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-0kdi-5901100000-ba4bded631640c110a56	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0911300000-fcd49d8a5e9d3dc3f933	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-ded96f0f499982ac1ab0	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0900000000-ac93e95f54842f42e273	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0f6x-0900800000-1ed1199fdace4d1b4d80	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0zir-3900000000-b9aeef613c34fe99a48c	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9200000000-f630c9237e72a76d3d63	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0900200000-fa2d42f6050d9ab60119	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-ed3d09503a04c850d595	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0900000000-19a5699334c495daa4e5	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0001900000-7b9b9276c5e39c703f8c	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9202300000-fa0fbdc8c265ee49a371	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-278ab542160fff840256	2021-09-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
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	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Golgi apparatus
Mitochondria
Nucleus

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
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
MMDBp0191757	Ectonucleoside triphosphate diphosphohydrolase 1	Unknown	P49961	Homo sapiens
MMDBp0191758	Soluble calcium-activated nucleotidase 1	Unknown	Q8WVQ1	Homo sapiens
MMDBp0191759	Ectonucleoside triphosphate diphosphohydrolase 3	Unknown	O75355	Homo sapiens
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
MMDBp0191924	Fucose-1-phosphate guanylyltransferase	Unknown	O14772	Homo sapiens
MMDBp0192050	Alpha-1,3/1,6-mannosyltransferase ALG2	Enzyme	Q9H553	Homo sapiens
MMDBp0192051	Dolichol-phosphate mannosyltransferase	Enzyme	O60762	Homo sapiens
MMDBp0192052	GDP-mannose 4,6 dehydratase	Enzyme	O60547	Homo sapiens
MMDBp0192125	Galactoside 2-alpha-L-fucosyltransferase 2	Enzyme	Q10981	Homo sapiens
MMDBp0192126	Galactoside 2-alpha-L-fucosyltransferase 1	Enzyme	P19526	Homo sapiens
MMDBp0192369	6-phosphofructokinase type C	Unknown	Q01813	Homo sapiens
MMDBp0192381	6-phosphofructokinase, liver type	Unknown	P17858	Homo sapiens
MMDBp0192384	6-phosphofructokinase, muscle type	Unknown	P08237	Homo sapiens
MMDBp0192385	Pyruvate kinase isozymes M1/M2	Unknown	P14618	Homo sapiens
MMDBp0192387	Pyruvate kinase isozymes R/L	Unknown	P30613	Homo sapiens
MMDBp0192495	Ectonucleoside triphosphate diphosphohydrolase 4	Unknown	Q9Y227	Homo sapiens
MMDBp0192496	Ectonucleoside triphosphate diphosphohydrolase 6	Unknown	O75354	Homo sapiens
MMDBp0192497	Ectonucleoside triphosphate diphosphohydrolase 5	Unknown	O75356	Homo sapiens
MMDBp0192498	Adenylosuccinate synthetase isozyme 2	Unknown	P30520	Homo sapiens
MMDBp0192502	Adenylosuccinate synthetase isozyme 1	Unknown	Q8N142	Homo sapiens
MMDBp0192507	Succinyl-CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial	Unknown	P53597	Homo sapiens
MMDBp0192508	Phosphoenolpyruvate carboxykinase [GTP], mitochondrial	Unknown	Q16822	Homo sapiens
MMDBp0192509	Succinyl-CoA ligase [GDP-forming] subunit beta, mitochondrial	Unknown	Q96I99	Homo sapiens
MMDBp0192510	Phosphoenolpyruvate carboxykinase, cytosolic [GTP]	Unknown	P35558	Homo sapiens
MMDBp0192543	GDP-L-fucose synthase	Enzyme	Q13630	Homo sapiens
MMDBp0192548	Guanylate kinase	Enzyme	Q16774	Homo sapiens
MMDBp0192583	Succinyl-CoA ligase [ADP-forming] subunit beta, mitochondrial	Unknown	Q9P2R7	Homo sapiens
MMDBp0192631	Alpha-(1,3)-fucosyltransferase	Enzyme	Q11128	Homo sapiens
MMDBp0192727	Rap guanine nucleotide exchange factor 2	Unknown	Q9Y4G8	Homo sapiens
MMDBp0192881	Polyribonucleotide nucleotidyltransferase 1, mitochondrial	Enzyme	Q8TCS8	Homo sapiens
MMDBp0193192	Rho guanine nucleotide exchange factor 1	Enzyme	Q92888	Homo sapiens
MMDBp0193247	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	Unknown	P59768	Homo sapiens
MMDBp0193253	Ras-related C3 botulinum toxin substrate 1	Unknown	P63000	Homo sapiens
MMDBp0193255	Rho GDP-dissociation inhibitor 3	Unknown	Q99819	Homo sapiens
MMDBp0193256	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	Enzyme	P63092	Homo sapiens
MMDBp0193257	Rab GDP dissociation inhibitor alpha	Unknown	P31150	Homo sapiens
MMDBp0193258	Proto-oncogene DBL	Unknown	P10911	Homo sapiens
MMDBp0193259	Cell division control protein 42 homolog	Unknown	P60953	Homo sapiens
MMDBp0193260	Rab GDP dissociation inhibitor beta	Unknown	P50395	Homo sapiens
MMDBp0193261	Rho GDP-dissociation inhibitor 1	Unknown	P52565	Homo sapiens
MMDBp0193262	Rho GDP-dissociation inhibitor 2	Unknown	P52566	Homo sapiens
MMDBp0193263	Ras-related C3 botulinum toxin substrate 2	Unknown	P15153	Homo sapiens
MMDBp0193309	Elongation factor 1-alpha 1	Unknown	P68104	Homo sapiens
MMDBp0193310	Elongation factor 1-alpha 2	Unknown	Q05639	Homo sapiens
MMDBp0193335	Vinexin	Enzyme	O60504	Homo sapiens
MMDBp0193351	GTPase HRas	Unknown	P01112	Homo sapiens
MMDBp0193356	Rho-related GTP-binding protein RhoQ	Unknown	P17081	Homo sapiens
MMDBp0193387	Guanine nucleotide-binding protein G(q) subunit alpha	Enzyme	P50148	Homo sapiens
MMDBp0193389	Guanine nucleotide-binding protein subunit alpha-11	Enzyme	P29992	Homo sapiens
MMDBp0193450	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-11	Unknown	P61952	Homo sapiens
MMDBp0193507	Chitobiosyldiphosphodolichol beta-mannosyltransferase	Enzyme	Q9BT22	Homo sapiens
MMDBp0193532	Guanine nucleotide-binding protein G(t) subunit alpha-1	Enzyme	P11488	Homo sapiens
MMDBp0193590	Uridine-cytidine kinase 2	Unknown	Q9BZX2	Homo sapiens
MMDBp0193653	Protein ALEX	Enzyme	P84996	Homo sapiens
MMDBp0193664	Rap guanine nucleotide exchange factor 3	Unknown	O95398	Homo sapiens
MMDBp0193699	Lysophosphatidic acid receptor 2	Enzyme	Q9HBW0	Homo sapiens
MMDBp0193738	Rap guanine nucleotide exchange factor 4	Unknown	Q8WZA2	Homo sapiens
MMDBp0193740	Elongation factor 2	Unknown	P13639	Homo sapiens
MMDBp0193868	ENTPD4 protein	Enzyme	Q8NE73	Homo sapiens
MMDBp0193929	Mannose-1-phosphate guanyltransferase beta	Unknown	Q9Y5P6	Homo sapiens
MMDBp0193930	Mannose-1-phosphate guanyltransferase alpha	Unknown	Q96IJ6	Homo sapiens
MMDBp0194021	Alpha-(1,3)-fucosyltransferase	Enzyme	Q9Y231	Homo sapiens
MMDBp0194022	Alpha-(1,6)-fucosyltransferase	Enzyme	Q9BYC5	Homo sapiens
MMDBp0194137	Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein	Unknown	Q8TCU6	Homo sapiens
MMDBp0194182	Ribonucleoside-diphosphate reductase subunit M2 B	Unknown	Q7LG56	Homo sapiens
MMDBp0194185	Uridine-cytidine kinase-like 1	Enzyme	Q9NWZ5	Homo sapiens
MMDBp0194442	Ectonucleoside triphosphate diphosphohydrolase 8	Unknown	Q5MY95	Homo sapiens
MMDBp0194937	Synembryn-B	Unknown	Q9NVN3	Homo sapiens
MMDBp0194941	Rap guanine nucleotide exchange factor 6	Unknown	Q8TEU7	Homo sapiens
MMDBp0195082	Neuroepithelial cell-transforming gene 1 protein	Unknown	Q7Z628	Homo sapiens
MMDBp0195097	Cell cycle progression protein 1	Unknown	Q9ULG6	Homo sapiens
MMDBp0195114	Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 2 protein	Unknown	Q70Z35	Homo sapiens
MMDBp0195120	Dynamin-1-like protein	Unknown	O00429	Homo sapiens
MMDBp0195121	Dedicator of cytokinesis protein 10	Unknown	Q96BY6	Homo sapiens
MMDBp0195123	Dedicator of cytokinesis protein 1	Unknown	Q14185	Homo sapiens
MMDBp0195124	Dedicator of cytokinesis protein 2	Unknown	Q92608	Homo sapiens
MMDBp0195125	Dedicator of cytokinesis protein 3	Unknown	Q8IZD9	Homo sapiens
MMDBp0195126	Dedicator of cytokinesis protein 4	Unknown	Q8N1I0	Homo sapiens
MMDBp0195127	Dedicator of cytokinesis protein 5	Unknown	Q9H7D0	Homo sapiens
MMDBp0195128	Dedicator of cytokinesis protein 6	Unknown	Q96HP0	Homo sapiens
MMDBp0195129	Dedicator of cytokinesis protein 7	Unknown	Q96N67	Homo sapiens
MMDBp0195130	Dedicator of cytokinesis protein 8	Unknown	Q8NF50	Homo sapiens
MMDBp0195134	Dynamin-1	Unknown	Q05193	Homo sapiens
MMDBp0195135	Dynamin-2	Unknown	P50570	Homo sapiens
MMDBp0195136	Dynamin-3	Unknown	Q9UQ16	Homo sapiens
MMDBp0195140	Elongation factor G, mitochondrial	Unknown	Q96RP9	Homo sapiens
MMDBp0195141	Ribosome-releasing factor 2, mitochondrial	Unknown	Q969S9	Homo sapiens
MMDBp0195143	Elongation factor Tu, mitochondrial	Unknown	P49411	Homo sapiens
MMDBp0195155	Elongation factor Tu GTP-binding domain-containing protein 1	Unknown	Q7Z2Z2	Homo sapiens
MMDBp0195168	GTPase-activating protein and VPS9 domain-containing protein 1	Unknown	Q14C86	Homo sapiens
MMDBp0195169	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	Unknown	P62873	Homo sapiens
MMDBp0195170	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-2	Unknown	P62879	Homo sapiens
MMDBp0195171	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-3	Unknown	P16520	Homo sapiens
MMDBp0195172	Guanine nucleotide-binding protein subunit beta-4	Unknown	Q9HAV0	Homo sapiens
MMDBp0195173	Guanine nucleotide-binding protein subunit beta-5	Unknown	O14775	Homo sapiens
MMDBp0195175	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-10	Unknown	P50151	Homo sapiens
MMDBp0195176	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-12	Unknown	Q9UBI6	Homo sapiens
MMDBp0195177	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-13	Unknown	Q9P2W3	Homo sapiens
MMDBp0195178	Guanine nucleotide-binding protein G(T) subunit gamma-T1	Unknown	P63211	Homo sapiens
MMDBp0195179	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-3	Unknown	P63215	Homo sapiens
MMDBp0195180	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-4	Unknown	P50150	Homo sapiens
MMDBp0195181	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-5	Unknown	P63218	Homo sapiens
MMDBp0195182	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-7	Unknown	O60262	Homo sapiens
MMDBp0195183	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-8	Unknown	Q9UK08	Homo sapiens
MMDBp0195184	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-T2	Unknown	O14610	Homo sapiens
MMDBp0195202	Guanine nucleotide-binding protein-like 1	Unknown	P36915	Homo sapiens
MMDBp0195215	Translation factor GUF1, mitochondrial	Unknown	Q8N442	Homo sapiens
MMDBp0195218	Probable E3 ubiquitin-protein ligase HERC1	Unknown	Q15751	Homo sapiens
MMDBp0195224	Eukaryotic translation initiation factor 5	Unknown	P55010	Homo sapiens
MMDBp0195225	Interferon-inducible GTPase 5	Unknown	Q6NXR0	Homo sapiens
MMDBp0195240	IQ motif and SEC7 domain-containing protein 1	Unknown	Q6DN90	Homo sapiens
MMDBp0195248	MAP kinase-activating death domain protein	Unknown	Q8WXG6	Homo sapiens
MMDBp0195249	Guanine nucleotide exchange factor DBS	Unknown	O15068	Homo sapiens
MMDBp0195251	Mitofusin-1	Unknown	Q8IWA4	Homo sapiens
MMDBp0195252	Mitofusin-2	Unknown	O95140	Homo sapiens
MMDBp0195279	Ras-related protein Rab-5A	Unknown	P20339	Homo sapiens
MMDBp0195280	Ras-related protein Rab-5B	Unknown	P61020	Homo sapiens
MMDBp0195287	Ran-binding protein 3	Unknown	Q9H6Z4	Homo sapiens
MMDBp0195312	Ral guanine nucleotide dissociation stimulator-like 2	Unknown	O15211	Homo sapiens
MMDBp0195313	Ral guanine nucleotide dissociation stimulator-like 3	Unknown	Q3MIN7	Homo sapiens
MMDBp0195323	Synembryn-A	Unknown	Q9NPQ8	Homo sapiens
MMDBp0195325	Ras and Rab interactor 1	Unknown	Q13671	Homo sapiens
MMDBp0195326	Ras and Rab interactor 2	Unknown	Q8WYP3	Homo sapiens
MMDBp0195327	Ras and Rab interactor 3	Unknown	Q8TB24	Homo sapiens
MMDBp0195328	GTP-binding protein Rit1	Unknown	Q92963	Homo sapiens
MMDBp0195329	GTP-binding protein Rit2	Unknown	Q99578	Homo sapiens
MMDBp0195332	Rap guanine nucleotide exchange factor 5	Unknown	Q92565	Homo sapiens
MMDBp0195334	Ras-related GTP-binding protein A	Unknown	Q7L523	Homo sapiens
MMDBp0195335	Ras-related GTP-binding protein B	Unknown	Q5VZM2	Homo sapiens
MMDBp0195336	Ras-related GTP-binding protein C	Unknown	Q9HB90	Homo sapiens
MMDBp0195337	Ras-related GTP-binding protein D	Unknown	Q9NQL2	Homo sapiens
MMDBp0195353	Secretion-regulating guanine nucleotide exchange factor	Unknown	Q9UGK8	Homo sapiens
MMDBp0195377	T-lymphoma invasion and metastasis-inducing protein 2	Unknown	Q8IVF5	Homo sapiens
MMDBp0195391	Protein XRP2	Unknown	O75695	Homo sapiens
MMDBp0195533	Putative nucleoside diphosphate kinase	Unknown	O60361	Homo sapiens
MMDBp0195544	Probable 8-oxo-dGTP diphosphatase NUDT15	Unknown	Q9NV35	Homo sapiens
MMDBp0195545	Nucleoside diphosphate-linked moiety X motif 17	Unknown	P0C025	Homo sapiens
MMDBp0195546	8-oxo-dGDP phosphatase NUDT18	Unknown	Q6ZVK8	Homo sapiens
MMDBp0195551	Nucleoside diphosphate-linked moiety X motif 8, mitochondrial	Unknown	Q8WV74	Homo sapiens
MMDBp0195612	GDP-fucose protein O-fucosyltransferase 1	Unknown	Q9H488	Homo sapiens
MMDBp0195867	Rho-related GTP-binding protein RhoU	Enzyme	Q7L0Q8	Homo sapiens
MMDBp0196148	Alpha-(1,3)-fucosyltransferase	Enzyme	P51993	Homo sapiens
MMDBp0196274	GDP-fucose protein O-fucosyltransferase 2	Enzyme	Q9Y2G5	Homo sapiens
MMDBp0196287	Alpha-(1,3)-fucosyltransferase	Enzyme	Q11130	Homo sapiens
MMDBp0196321	Guanine nucleotide-binding protein G(i) subunit alpha-1	Unknown	P63096	Homo sapiens
MMDBp0196322	Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas	Unknown	Q5JWF2	Homo sapiens
MMDBp0196472	Guanine nucleotide exchange factor VAV2	Unknown	P52735	Homo sapiens
MMDBp0196474	Rho-guanine nucleotide exchange factor	Unknown	Q8N1W1	Homo sapiens
MMDBp0196490	Ras guanyl-releasing protein 3	Unknown	Q8IV61	Homo sapiens
MMDBp0196529	Protein RCC2	Enzyme	Q9P258	Homo sapiens
MMDBp0196530	Protein very KIND	Enzyme	Q76NI1	Homo sapiens
MMDBp0196531	Nucleoside diphosphate kinase	Enzyme	A2IDD0	Homo sapiens
MMDBp0196567	Abl interactor 1	Unknown	Q8IZP0	Homo sapiens
MMDBp0196568	GTP-binding protein SAR1b	Unknown	Q9Y6B6	Homo sapiens
MMDBp0196569	Ras-GEF domain-containing family member 1A	Unknown	Q8N9B8	Homo sapiens
MMDBp0196570	G-protein-signaling modulator 1	Unknown	Q86YR5	Homo sapiens
MMDBp0196571	GTP-binding protein GEM	Unknown	P55040	Homo sapiens
MMDBp0196572	Rap guanine nucleotide exchange factor-like 1	Unknown	Q9UHV5	Homo sapiens
MMDBp0196573	Guanine nucleotide binding protein-like 1	Unknown	B0V0L1	Homo sapiens
MMDBp0196574	Rho guanine nucleotide exchange factor 6	Unknown	Q15052	Homo sapiens
MMDBp0196575	Guanine nucleotide-binding protein subunit alpha-14	Unknown	O95837	Homo sapiens
MMDBp0196576	PH and SEC7 domain-containing protein 4	Unknown	Q8NDX1	Homo sapiens
MMDBp0196577	Rho guanine nucleotide exchange factor 9	Unknown	O43307	Homo sapiens
MMDBp0196578	Guanine nucleotide-binding protein G(k) subunit alpha	Unknown	P08754	Homo sapiens
MMDBp0196579	Epithelial cell-transforming sequence 2 oncogene-like	Unknown	Q008S8	Homo sapiens
MMDBp0196580	Pleckstrin homology domain-containing family G member 6	Unknown	Q3KR16	Homo sapiens
MMDBp0196581	Guanine nucleotide-binding protein G(i) subunit alpha-2	Unknown	P04899	Homo sapiens
MMDBp0196582	Guanine nucleotide-binding protein G(t) subunit alpha-2	Unknown	P19087	Homo sapiens
MMDBp0196583	Rho guanine nucleotide exchange factor 37	Unknown	A1IGU5	Homo sapiens
MMDBp0196584	PH and SEC7 domain-containing protein 3	Unknown	Q9NYI0	Homo sapiens
MMDBp0196585	PH and SEC7 domain-containing protein 1	Unknown	A5PKW4	Homo sapiens
MMDBp0196586	Guanine nucleotide-binding protein G(o) subunit alpha	Unknown	P09471	Homo sapiens
MMDBp0196587	Ras-GEF domain-containing family member 1B	Unknown	Q0VAM2	Homo sapiens
MMDBp0196588	Rho guanine nucleotide exchange factor 18	Unknown	Q6ZSZ5	Homo sapiens
MMDBp0196589	ALS2 C-terminal-like protein	Unknown	Q60I27	Homo sapiens
MMDBp0196590	Switch-associated protein 70	Unknown	Q9UH65	Homo sapiens
MMDBp0196591	Ras-specific guanine nucleotide-releasing factor RalGPS2	Unknown	Q86X27	Homo sapiens
MMDBp0196592	FERM, RhoGEF and pleckstrin domain-containing protein 2	Unknown	O94887	Homo sapiens
MMDBp0196593	Ral guanine nucleotide dissociation stimulator-like 1	Unknown	Q9NZL6	Homo sapiens
MMDBp0196594	Guanine nucleotide-binding protein subunit alpha-13	Unknown	Q14344	Homo sapiens
MMDBp0196595	Vav-like protein C9orf100	Unknown	Q8N4T4	Homo sapiens
MMDBp0196596	Probable guanine nucleotide exchange factor MCF2L2	Unknown	Q86YR7	Homo sapiens
MMDBp0196597	Rho guanine nucleotide exchange factor 7	Unknown	Q14155	Homo sapiens
MMDBp0196598	Guanine nucleotide binding protein (G protein), alpha 14	Unknown	B1ALW3	Homo sapiens
MMDBp0196599	Guanine nucleotide binding protein-like 1	Unknown	A2AB27	Homo sapiens
MMDBp0196600	Guanine nucleotide-binding protein subunit alpha-12	Unknown	Q03113	Homo sapiens
MMDBp0196601	Ras-specific guanine nucleotide-releasing factor RalGPS1	Unknown	Q5JS13	Homo sapiens
MMDBp0196602	Rho guanine nucleotide exchange factor 11	Unknown	O15085	Homo sapiens
MMDBp0196603	Growth factor receptor-bound protein 2	Unknown	P62993	Homo sapiens
MMDBp0196604	Guanine nucleotide binding protein (G protein), beta polypeptide 1	Unknown	B1AKQ8	Homo sapiens
MMDBp0196605	Rho guanine nucleotide exchange factor 10-like protein	Unknown	Q9HCE6	Homo sapiens
MMDBp0196606	Guanine nucleotide binding protein (G protein), q polypeptide	Unknown	B1AM21	Homo sapiens
MMDBp0196607	Protein SOLO	Unknown	Q8TER5	Homo sapiens
MMDBp0196608	Prolactin regulatory element-binding protein	Unknown	Q9HCU5	Homo sapiens
MMDBp0196609	Rho guanine nucleotide exchange factor 4	Unknown	Q9NR80	Homo sapiens
MMDBp0196610	Guanine nucleotide exchange factor for Rab-3A	Unknown	Q8TBN0	Homo sapiens
MMDBp0196611	Engulfment and cell motility protein 1	Unknown	Q92556	Homo sapiens
MMDBp0196612	GRB2-related adapter protein	Unknown	Q13588	Homo sapiens
MMDBp0196613	Guanine nucleotide-binding protein G(z) subunit alpha	Unknown	P19086	Homo sapiens
MMDBp0196614	Engulfment and cell motility protein 3	Unknown	Q96BJ8	Homo sapiens
MMDBp0196615	Guanine nucleotide exchange factor GEFT	Unknown	Q86VW2	Homo sapiens
MMDBp0196616	Differentially expressed in FDCP 6 homolog	Unknown	Q9H4E7	Homo sapiens
MMDBp0196617	Alpha-catulin	Unknown	Q9UBT7	Homo sapiens
MMDBp0196618	IQ motif and SEC7 domain-containing protein 3	Unknown	Q9UPP2	Homo sapiens
MMDBp0196619	Engulfment and cell motility protein 2	Unknown	Q96JJ3	Homo sapiens
MMDBp0196620	Rho guanine nucleotide exchange factor 17	Unknown	Q96PE2	Homo sapiens
MMDBp0196621	Ras-GEF domain-containing family member 1C	Unknown	Q8N431	Homo sapiens
MMDBp0196622	Rho guanine nucleotide exchange factor 12	Unknown	Q9NZN5	Homo sapiens
MMDBp0196623	Ephexin-1	Unknown	Q8N5V2	Homo sapiens
MMDBp0196624	Guanine nucleotide binding protein-like 1	Unknown	B0V0L0	Homo sapiens
MMDBp0196625	Guanine nucleotide-binding protein G(olf) subunit alpha	Unknown	P38405	Homo sapiens
MMDBp0196626	Guanine nucleotide-binding protein subunit alpha-15	Unknown	P30679	Homo sapiens
MMDBp0196627	Rho guanine nucleotide exchange factor 3	Unknown	Q9NR81	Homo sapiens
MMDBp0196680	Hydroxylysine kinase	Unknown	A2RU49
MMDBp0196683	GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase	Unknown	Q2TAA5
MMDBp0196786	Dolichol phosphate-mannose biosynthesis regulatory protein	Unknown	O94777
MMDBp0196787	Dolichol-phosphate mannosyltransferase subunit 3	Unknown	Q9P2X0
MMDBp0196810	Galactoside 3(4)-L-fucosyltransferase	Unknown	P21217
MMDBp0196816	GDP-D-glucose phosphorylase 1	Unknown	Q6ZNW5
MMDBp0196880	Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase MESH1	Unknown	Q8N4P3
MMDBp0196906	Nucleoside diphosphate kinase homolog 5	Unknown	P56597
MMDBp0196917	Dynamin-like 120 kDa protein, mitochondrial	Unknown	O60313

Human Pathways

Pathways

Name	SMPDB/PathBank
Chlorphenamine H1-Antihistamine Action
Pheniramine H1-Antihistamine Action
Dexchlorpheniramine H1-Antihistamine Action
Brompheniramine H1-Antihistamine Action
Dexbrompheniramine H1-Antihistamine Action

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000219	Guanosine triphosphate	Guanosine diphosphate	Not Available	VMH	9434148
MMDBr0000220	Guanosine triphosphate	Guanosine diphosphate	adenylate kinase 3	VMH	11485571
MMDBr0000380	N,N'-diacetylchitobiosyldiphosphodolichol	Guanosine diphosphate	ALG1, chitobiosyldiphosphodolichol beta-mannosyltransferase	VMH	30371894
MMDBr0000381	N,N-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog	Guanosine diphosphate	ALG1, chitobiosyldiphosphodolichol beta-mannosyltransferase	VMH	30371894
MMDBr0000596	Cytidine monophosphate	CDP	adenylate kinase 5	VMH	10215863
MMDBr0000598	dCMP	dCDP	adenylate kinase 5	VMH	10215863
MMDBr0000599	dCMP	dCDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000601	Cytidine monophosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544
MMDBr0000806	Dolichol phosphate	Dolichyl phosphate D-mannose	ALG12, alpha-1,6-mannosyltransferase	VMH	30371894
MMDBr0000807	dolichyl phosphate	Dolichyl Phosphate D-Mannose, Human Uterine Homolog	ALG12, alpha-1,6-mannosyltransferase	VMH	30371894
MMDBr0001253	Guanosine diphosphate mannose	Guanosine diphosphate	ALG2, alpha-1,3/1,6-mannosyltransferase	VMH	30371894
MMDBr0001254	Guanosine diphosphate mannose	Guanosine diphosphate	ALG2, alpha-1,3/1,6-mannosyltransferase	VMH	30371894
MMDBr0001308	Guanosine monophosphate	Guanosine diphosphate	guanylate kinase 1	VMH	17727616
MMDBr0001519	Guanosine triphosphate	Guanosine diphosphate	succinate-CoA ligase, alpha subunit	VMH; KEGG	30371894
MMDBr0001635	Guanosine triphosphate	Guanosine diphosphate	succinate-CoA ligase, alpha subunit	VMH	13783048
MMDBr0001725	Guanosine diphosphate	Guanosine monophosphate	calcium activated nucleotidase 1	VMH; KEGG	30371894
MMDBr0001735	Guanosine diphosphate	Guanosine triphosphate	NME/NM23 nucleoside diphosphate kinase 4	VMH; KEGG	30371894
MMDBr0001736	Guanosine diphosphate	Guanosine triphosphate	NME/NM23 nucleoside diphosphate kinase 1	VMH; KEGG	30371894
MMDBr0001800	Guanosine triphosphate	Guanosine diphosphate	calcium activated nucleotidase 1	VMH; KEGG	30371894
MMDBr0001912	Guanosine triphosphate	Guanosine diphosphate	Not Available	VMH	17211624 17888579 17888580 8325643
MMDBr0001913	Guanosine triphosphate	Guanosine diphosphate	phosphoenolpyruvate carboxykinase 1 (soluble)	VMH; KEGG	30371894
MMDBr0002185	Guanosine triphosphate	Guanosine diphosphate	succinate-CoA ligase, alpha subunit	VMH; KEGG	30371894
MMDBr0002342	Guanosine triphosphate	Guanosine diphosphate	Not Available	VMH	10462544 11912132
MMDBr0002343	Guanosine triphosphate	Guanosine diphosphate	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0002461	Guanosine diphosphate	Guanosine triphosphate	Not Available	VMH	1009117 7154942
MMDBr0005421	Adenosine	Guanosine diphosphate	Not Available	VMH	30371894
MMDBr0006902	Adenosyl cobinamide	Adenosyl cobinamide phosphate	Not Available	VMH	30371894
MMDBr0007251	L-Aspartic acid	Adenylsuccinic acid	Not Available	VMH; KEGG	30371894
MMDBr0007428	Guanosine monophosphate	Guanosine diphosphate	Not Available	VMH; KEGG	30371894
MMDBr0007429	Deoxyadenosine triphosphate	Guanosine diphosphate	Not Available	VMH	30371894
MMDBr0007483	Guanosine diphosphate	Guanosine diphosphate mannose	Not Available	VMH; KEGG	30371894
MMDBr0007498	Guanosine diphosphate	Guanosine triphosphate	Not Available	VMH; KEGG	30371894
MMDBr0007742	Cytidine	Cytidine monophosphate	Not Available	VMH; KEGG	30371894
MMDBr0007961	Guanosine triphosphate	Adenosine phosphosulfate	Not Available	VMH	30371894
MMDBr0008002	Guanosine triphosphate	Guanosine diphosphate	Not Available	VMH; KEGG	30371894
MMDBr0008412	Guanosine triphosphate	5-Thymidylic acid	Not Available	VMH	30371894
MMDBr0010274	Cytidine	Cytidine monophosphate	family with sequence similarity 20 member B	VMH	30371894
MMDBr0010321	Guanosine triphosphate	Guanosine diphosphate	uridine-cytidine kinase 1	VMH	30371894
MMDBr0010574	Dolichol phosphate	Dolichyl phosphate D-mannose	dolichyl-phosphate mannosyltransferase polypeptide 1, catalytic subunit	VMH; KEGG	30371894
MMDBr0010811	Guanosine triphosphate	Guanosine diphosphate	hydroxylysine kinase	VMH; KEGG	30371894
MMDBr0011011	Guanosine triphosphate	Guanosine diphosphate	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Epilepsy		Association	Human Cerebrospinal Fluid (CSF)	HMDB	15993662
Neuroinfection		Association	Human Cerebrospinal Fluid (CSF)	HMDB	15993662
Rachialgia		Association	Human Cerebrospinal Fluid (CSF)	HMDB	15993662
Cerebral infarction		Association	Human Cerebrospinal Fluid (CSF)	HMDB	15993662
Subarachnoid hemorrhage	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	15993662

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	588	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Turkey ; Cattle ; Human subgingival plaque; Human saliva; Rat ; Sheep ; Dog ; Lion ; Chicken ; River trout ; American dog tick	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	509	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool; Catfish	Metabolic reconstruction
Bacteria	Actinobacteria	185	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	135	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	17	Human feces; Human ; Relapsing fever tick ; Pig	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	21	Human feces; Human ; Human mucosa; Human supragingival plaque; Human urine; Human saliva; Human subgingival plaque	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	28	Human feces; Human ; Goat ; Pig	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria	Chlorobi	11	Human
Eukaryota/Fungi	Chytridiomycota	1
Archaea/Archaea	Euryarchaeota	37		Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	21		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	65	Human feces; Human saliva; Human supragingival plaque	Unknown
Bacteria	Aquificae	2
Bacteria	nah	1
Bacteria	Cyanobacteria	35	Human
Eukaryota/Fungi	Basidiomycota	10	Human feces
Bacteria	Chloroflexi	4
Bacteria	Deinococcus-thermus	6
Bacteria	Elusimicrobia	1
Bacteria	Thermotogae	6
Bacteria	Acidobacteria	3
Archaea	nah	1
Bacteria	Nitrospirae	1
Eukaryota/Fungi	Microsporidia	1
Viruses/Orthornavirae	Negarnaviricota	79
Viruses	Uroviricota	4
Viruses/Pararnavirae	Artverviricota	5
Eukaryota/Fungi	Mucoromycota	1
Archaea/Archaea	Thaumarchaeota	2		Metabolic reconstruction
Archaea/Archaea	Korarchaeota	1

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Chondrus crispus	FooDB	Manually Annotated
Animal	Laminaria	FooDB	Manually Annotated
Animal	Haliotis	FooDB	Manually Annotated
Animal	Strombidae	FooDB	Manually Annotated
Animal	Clupea harengus harengus	FooDB	Manually Annotated
Animal	Undaria pinnatifida	FooDB	Manually Annotated
Animal	Peprilus triacanthus	FooDB	Manually Annotated
Animal	Rhodophyta	FooDB	Manually Annotated
Animal	Myoxocephalus	FooDB	Manually Annotated
Animal	Eucheuma	FooDB	Manually Annotated
Animal	Saccharina japonica	FooDB	Manually Annotated
Animal	Spirulina	FooDB	Manually Annotated
Animal	Lota lota	FooDB	Manually Annotated
Animal	Porphyra umbilicalis	FooDB	Manually Annotated
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant	Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant	Vigna radiata	FooDB	Manually Annotated
Plant	Borago officinalis	FooDB	Manually Annotated
Plant	Raphanus sativus	FooDB	Manually Annotated
Plant	Prunus dulcis	FooDB	Manually Annotated
Plant	Hyssopus officinalis	FooDB	Manually Annotated
Plant	Manihot esculenta	FooDB	Manually Annotated
Plant	Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant	Scorzonera hispanica	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	Manually Annotated
Plant	Angelica keiskei	FooDB	Manually Annotated
Plant	Ipomoea aquatica	FooDB	Manually Annotated
Plant	Musa x paradisiaca	FooDB	Manually Annotated
Plant	Cuminum cyminum	FooDB	Manually Annotated
Plant	Rubus spectabilis	FooDB	Manually Annotated
Plant	Allium sativum	FooDB	Manually Annotated
Plant	Arachis hypogaea	FooDB	Manually Annotated
Plant	Rubus idaeus	FooDB	Manually Annotated
Plant	Cantharellus cibarius	FooDB	Manually Annotated
Plant	Sinapis alba	FooDB	Manually Annotated
Plant	Fragaria x ananassa	FooDB	Manually Annotated
Plant	Pyrus communis	FooDB	Manually Annotated
Plant	Brassica ruvo	FooDB	Manually Annotated
Plant	Apium graveolens var. secalinum	FooDB	Manually Annotated
Plant	Morus nigra	FooDB	Manually Annotated
Plant	Solanum lycopersicum	FooDB	Manually Annotated
Plant	Abelmoschus esculentus	FooDB	Manually Annotated
Plant	Moringa oleifera	FooDB	Manually Annotated
Plant	Pinus edulis	FooDB	Manually Annotated
Plant	Passiflora edulis	FooDB	Manually Annotated
Plant	Opuntia macrorhiza	FooDB	Manually Annotated
Plant	Vigna angularis	FooDB	Manually Annotated
Plant	Manilkara zapota	FooDB	Manually Annotated
Plant	Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant	Helianthus annuus	FooDB	Manually Annotated
Plant	Mentha spicata	FooDB	Manually Annotated
Plant	Corylus	FooDB	Manually Annotated
Plant	Malus	FooDB	Manually Annotated
Plant	Pisum sativum	FooDB	Manually Annotated
Plant	Sambucus nigra	FooDB	Manually Annotated
Plant	Allium cepa	FooDB	Manually Annotated
Plant	Juglans	FooDB	Manually Annotated
Plant	Mangifera indica	FooDB	Manually Annotated
Plant	Petroselinum crispum	FooDB	Manually Annotated
Plant	Ribes nigrum	FooDB	Manually Annotated
Plant	Zingiber officinale	FooDB	Manually Annotated
Plant	Chamaemelum nobile	FooDB	Manually Annotated
Plant	Illicium verum	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Laurus nobilis	FooDB	Manually Annotated
Plant	Auricularia auricula-judae	FooDB	Manually Annotated
Plant	Attalea speciosa	FooDB	Manually Annotated
Plant	Juglans ailanthifolia	FooDB	Manually Annotated
Plant	Melissa officinalis	FooDB	Manually Annotated
Plant	Hippophae rhamnoides	FooDB	Manually Annotated
Plant	Polygonum alpinum	FooDB	Manually Annotated
Plant	Brassica juncea	FooDB	Manually Annotated
Plant	Pediomelum esculentum	FooDB	Manually Annotated
Plant	Spinacia oleracea	FooDB	Manually Annotated
Plant	Auricularia polytricha	FooDB	Manually Annotated
Plant	Camellia oleifera	FooDB	Manually Annotated
Plant	Vaccinium corymbosum	FooDB	Manually Annotated
Plant	Chrysanthemum coronarium	FooDB	Manually Annotated
Plant	Eleocharis dulcis	FooDB	Manually Annotated
Plant	Thymus vulgaris	FooDB	Manually Annotated
Plant	Actinidia chinensis	FooDB	Manually Annotated
Plant	Carica papaya	FooDB	Manually Annotated
Plant	Pimenta dioica	FooDB	Manually Annotated
Plant	Medicago sativa	FooDB	Manually Annotated
Plant	Vigna mungo	FooDB	Manually Annotated
Plant	Rubus arcticus	FooDB	Manually Annotated
Plant	Agaricus bisporus	FooDB	Manually Annotated
Plant	Cajanus cajan	FooDB	Manually Annotated
Plant	Rumex articus	FooDB	Manually Annotated
Plant	Origanum majorana	FooDB	Manually Annotated
Plant	Armoracia rusticana	FooDB	Manually Annotated
Plant	Hibiscus sabdariffa	FooDB	Manually Annotated
Plant	Benincasa hispida	FooDB	Manually Annotated
Plant	Prunus persica	FooDB	Manually Annotated
Plant	Canarium ovatum	FooDB	Manually Annotated
Plant	Ribes aureum var. villosum	FooDB	Manually Annotated
Plant	Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Brassica oleracea var. gemmifera	FooDB	Manually Annotated
Plant	Foeniculum vulgare	FooDB	Manually Annotated
Plant	Phoenix dactylifera	FooDB	Manually Annotated
Plant	Vaccinium macrocarpon	FooDB	Manually Annotated
Plant	Arctium lappa	FooDB	Manually Annotated
Plant	Brassica oleracea var. gongylodes	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Juglans cinerea	FooDB	Manually Annotated
Plant	Prunus cerasus	FooDB	Manually Annotated
Plant	Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant	Rosmarinus officinalis	FooDB	Manually Annotated
Plant	Artocarpus altilis	FooDB	Manually Annotated
Plant	Citrus x paradisi	FooDB	Manually Annotated
Plant	Vigna unguiculata	FooDB	Manually Annotated
Plant	Cynara scolymus	FooDB	Manually Annotated
Plant	Cyathea	FooDB	Manually Annotated
Plant	Metroxylon sagu	FooDB	Manually Annotated
Plant	Vitis rotundifolia	FooDB	Manually Annotated
Plant	Brosimum alicastrum	FooDB	Manually Annotated
Plant	Ficus carica	FooDB	Manually Annotated
Plant	Lentinus edodes	FooDB	Manually Annotated
Plant	Psidium cattleianum	FooDB	Manually Annotated
Plant	Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant	Castanea mollissima	FooDB	Manually Annotated
Plant	Lepidium sativum	FooDB	Manually Annotated
Plant	Morus	FooDB	Manually Annotated
Plant	Helianthus tuberosus	FooDB	Manually Annotated
Plant	Phytolacca americana	FooDB	Manually Annotated
Plant	Grifola frondosa	FooDB	Manually Annotated
Plant	Vitis labrusca	FooDB	Manually Annotated
Plant	Tetragonia tetragonioides	FooDB	Manually Annotated
Plant	Artemisia vulgaris	FooDB	Manually Annotated
Plant	Cucumis metuliferus	FooDB	Manually Annotated
Plant	Nephelium lappaceum	FooDB	Manually Annotated
Plant	Myrica	FooDB	Manually Annotated
Plant	Castanea crenata	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Corylus avellana	FooDB	Manually Annotated
Plant	Litchi chinensis	FooDB	Manually Annotated
Plant	Juglans regia	FooDB	Manually Annotated
Plant	Quercus	FooDB	Manually Annotated
Plant	Trigonella foenum-graecum	FooDB	Manually Annotated
Plant	Vaccinium angustifolium	FooDB	Manually Annotated
Plant	Malpighia emarginata	FooDB	Manually Annotated
Plant	Physalis	FooDB	Manually Annotated
Plant	Brassica oleracea var. sabauda	FooDB	Manually Annotated
Plant	Thelesperma	FooDB	Manually Annotated
Plant	Brassica napus	FooDB	Manually Annotated
Plant	Asparagus officinalis	FooDB	Manually Annotated
Plant	Chamerion angustifolium	FooDB	Manually Annotated
Plant	Levisticum officinale	FooDB	Manually Annotated
Plant	Pimpinella anisum	FooDB	Manually Annotated
Plant	Vaccinium elliottii	FooDB	Manually Annotated
Plant	Artemisia dracunculus	FooDB	Manually Annotated
Plant	Matricaria recutita	FooDB	Manually Annotated
Plant	Citrus aurantiifolia	FooDB	Manually Annotated
Plant	Ziziphus zizyphus	FooDB	Manually Annotated
Plant	Lactuca sativa	FooDB	Manually Annotated
Plant	Dimocarpus longan	FooDB	Manually Annotated
Plant	Eragrostis tef	FooDB	Manually Annotated
Plant	Salvia hispanica	FooDB	Manually Annotated
Plant	Pistacia vera	FooDB	Manually Annotated
Plant	Cynara cardunculus	FooDB	Manually Annotated
Plant	Vitellaria paradoxa	FooDB	Manually Annotated
Plant	Pangium edule	FooDB	Manually Annotated
Plant	Malus pumila	FooDB	Manually Annotated
Plant	Allium	FooDB	Manually Annotated
Plant	Brassica oleracea var. viridis	FooDB	Manually Annotated
Plant	Punica granatum	FooDB	Manually Annotated
Plant	Agave	FooDB	Manually Annotated
Plant	Hedysarum alpinum	FooDB	Manually Annotated
Plant	Diospyros	FooDB	Manually Annotated
Plant	Vigna aconitifolia	FooDB	Manually Annotated
Plant	Amaranthus	FooDB	Manually Annotated
Plant	Gossypium	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Beta vulgaris	FooDB	Manually Annotated
Plant	Mammea americana	FooDB	Manually Annotated
Plant	Brassica alboglabra	FooDB	Manually Annotated
Plant	Annona squamosa	FooDB	Manually Annotated
Plant	Apium graveolens var. dulce	FooDB	Manually Annotated
Plant	Vitis	FooDB	Manually Annotated
Plant	Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant	Basella alba	FooDB	Manually Annotated
Plant	Cucumis sativus	FooDB	Manually Annotated
Plant	Citrus latifolia	FooDB	Manually Annotated
Plant	Carya illinoinensis	FooDB	Manually Annotated
Plant	Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant	Byrsonima crassifolia	FooDB	Manually Annotated
Plant	Capsicum pubescens	FooDB	Manually Annotated
Plant	Cinnamomum aromaticum	FooDB	Manually Annotated
Plant	Ribes rubrum	FooDB	Manually Annotated
Plant	Crateva religiosa	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Vitis aestivalis	FooDB	Manually Annotated
Plant	Brassica rapa var. chinensis	FooDB	Manually Annotated
Plant	Eugenia javanica	FooDB	Manually Annotated
Plant	Portulaca oleracea	FooDB	Manually Annotated
Plant	Ipomoea batatas	FooDB	Manually Annotated
Plant	Mentha arvensis	FooDB	Manually Annotated
Plant	Pastinaca sativa	FooDB	Manually Annotated
Plant	Cucurbita maxima	FooDB	Manually Annotated
Plant	Vaccinium stamineum	FooDB	Manually Annotated
Plant	Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant	Chenopodium album	FooDB	Manually Annotated
Plant	Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant	Allium ampeloprasum	FooDB	Manually Annotated
Plant	Brassica oleracea	FooDB	Manually Annotated
Plant	Sechium edule	FooDB	Manually Annotated
Plant	Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant	Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant	Diospyros virginiana	FooDB	Manually Annotated
Plant	Origanum x majoricum	FooDB	Manually Annotated
Plant	Rubus x loganobaccus	FooDB	Manually Annotated
Plant	Tragopogon porrifolius	FooDB	Manually Annotated
Plant	Taraxacum officinale	FooDB	Manually Annotated
Plant	Rumex	FooDB	Manually Annotated
Plant	Allium ascalonicum	FooDB	Manually Annotated
Plant	Curcuma longa	FooDB	Manually Annotated
Plant	Rubus chamaemorus	FooDB	Manually Annotated
Plant	Elettaria cardamomum	FooDB	Manually Annotated
Plant	Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant	Ananas comosus	FooDB	Manually Annotated
Plant	Persea americana	FooDB	Manually Annotated
Plant	Amelanchier alnifolia	FooDB	Manually Annotated
Plant	Eugenia uniflora	FooDB	Manually Annotated
Plant	Annona reticulata	FooDB	Manually Annotated
Plant	Cichorium intybus	FooDB	Manually Annotated
Plant	Sesbania bispinosa	FooDB	Manually Annotated
Plant	Chenopodium quinoa	FooDB	Manually Annotated
Plant	Brassica oleracea var. botrytis	FooDB	Manually Annotated
Plant	Ribes x nidigrolaria	FooDB	Manually Annotated
Plant	Garcinia mangostana	FooDB	Manually Annotated
Plant	Cucumis melo	FooDB	Manually Annotated
Plant	Dioscorea pentaphylla	FooDB	Manually Annotated
Plant	Corchorus olitorius	FooDB	Manually Annotated
Plant	Juglans nigra	FooDB	Manually Annotated
Plant	Lathyrus sativus	FooDB	Manually Annotated
Plant	Allium tuberosum	FooDB	Manually Annotated
Plant	Cinnamomum verum	FooDB	Manually Annotated
Plant	Glycine max	FooDB	Manually Annotated
Plant	Gaylussacia baccata	FooDB	Manually Annotated
Plant	Petasites japonicus	FooDB	Manually Annotated
Plant	Prunus tomentosa	FooDB	Manually Annotated
Plant	Ocimum basilicum	FooDB	Manually Annotated
Plant	Mentha x piperita	FooDB	Manually Annotated
Plant	Maranta arundinacea	FooDB	Manually Annotated
Plant	Matteuccia struthiopteris	FooDB	Manually Annotated
Plant	Cucurbita moschata	FooDB	Manually Annotated
Plant	Macadamia	FooDB	Manually Annotated
Plant	Tilia	FooDB	Manually Annotated
Plant	Citrus limon	FooDB	Manually Annotated
Plant	Vaccinium myrtilloides	FooDB	Manually Annotated
Plant	Capsicum annuum var. annuum	FooDB	Manually Annotated
Plant	Apium graveolens var. rapaceum	FooDB	Manually Annotated
Plant	Papaver	FooDB	Manually Annotated
Plant	Rosa	FooDB	Manually Annotated
Plant	Nelumbo	FooDB	Manually Annotated
Plant	Brassica oleracea var. conica	FooDB	Manually Annotated
Plant	Sesamum orientale	FooDB	Manually Annotated
Plant	Annona cherimola	FooDB	Manually Annotated
Plant	Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant	Brassica rapa	FooDB	Manually Annotated
Plant	Lippia graveolens	FooDB	Manually Annotated
Plant	Prunus	FooDB	Manually Annotated
Plant	Capparis spinosa	FooDB	Manually Annotated
Plant	Citrus sinensis	FooDB	Manually Annotated
Plant	Lens culinaris	FooDB	Manually Annotated
Plant	Vaccinium deliciosum	FooDB	Manually Annotated
Plant	Phaseolus lunatus	FooDB	Manually Annotated
Plant	Artocarpus heterophyllus	FooDB	Manually Annotated
Plant	Prunus virginiana	FooDB	Manually Annotated
Plant	Musa acuminata	FooDB	Manually Annotated
Plant	Citrullus lanatus	FooDB	Manually Annotated
Plant	Linum usitatissimum	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. unguiculata	FooDB	Manually Annotated
Plant	Macadamia tetraphylla	FooDB	Manually Annotated
Plant	Phyllostachys edulis	FooDB	Manually Annotated
Plant	Lagenaria siceraria	FooDB	Manually Annotated
Plant	Prunus domestica	FooDB	Manually Annotated
Plant	Prunus armeniaca	FooDB	Manually Annotated
Plant	Carum carvi	FooDB	Manually Annotated
Plant	Allium schoenoprasum	FooDB	Manually Annotated
Plant	Carissa macrocarpa	FooDB	Manually Annotated
Plant	Citrus reticulata	FooDB	Manually Annotated
Plant	Satureja hortensis	FooDB	Manually Annotated
Plant	Averrhoa carambola	FooDB	Manually Annotated
Plant	Brassica rapa var. rapa	FooDB	Manually Annotated
Plant	Sorbus aucuparia	FooDB	Manually Annotated
Plant	Anethum graveolens	FooDB	Manually Annotated
Plant	Nelumbo nucifera	FooDB	Manually Annotated
Plant	Coriandrum sativum	FooDB	Manually Annotated
Plant	Bertholletia excelsa	FooDB	Manually Annotated
Plant	Brassica oleracea var. costata	FooDB	Manually Annotated
Plant	Panax	FooDB	Manually Annotated
Plant	Ceratonia siliqua	FooDB	Manually Annotated
Plant	Cymbopogon citratus	FooDB	Manually Annotated
Plant	Luffa aegyptiaca	FooDB	Manually Annotated
Plant	Anacardium occidentale	FooDB	Manually Annotated
Plant	Carthamus tinctorius	FooDB	Manually Annotated
Plant	Rubus occidentalis	FooDB	Manually Annotated
Plant	Vigna umbellata	FooDB	Manually Annotated
Plant	Cicer arietinum	FooDB	Manually Annotated
Plant	Allium fistulosum	FooDB	Manually Annotated
Plant	Capsicum	FooDB	Manually Annotated
Plant	Vaccinium alaskaense	FooDB	Manually Annotated
Plant	Lupinus	FooDB	Manually Annotated
Plant	Tilia cordata	FooDB	Manually Annotated
Plant	Prunus persica var. nucipersica	FooDB	Manually Annotated
Plant	Camellia sinensis	FooDB	Manually Annotated
Plant	Durio zibethinus	FooDB	Manually Annotated
Plant	Eriobotrya japonica	FooDB	Manually Annotated
Plant	Solanum lycopersicum var. lycopersicum	FooDB	Manually Annotated
Plant	Brassica napus var. pabularia	FooDB	Manually Annotated
Plant	Oenothera biennis	FooDB	Manually Annotated
Plant	Diospyros kaki	FooDB	Manually Annotated
Plant	Ribes glandulosum	FooDB	Manually Annotated
Plant	Virola surinamensis	FooDB	Manually Annotated
Plant	Verbena officinalis	FooDB	Manually Annotated
Plant	Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Theobroma cacao	FooDB	Manually Annotated
Plant	Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant	Vaccinium oxycoccos	FooDB	Manually Annotated
Plant	Rumex acetosa	FooDB	Manually Annotated
Plant	Syzygium aromaticum	FooDB	Manually Annotated
Plant	Pyrus pyrifolia	FooDB	Manually Annotated
Plant	Vaccinium myrtillus	FooDB	Manually Annotated
Plant	Vaccinium parvifolium	FooDB	Manually Annotated
Plant	Aloysia triphylla	FooDB	Manually Annotated
Plant	Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant	Capsicum chinense	FooDB	Manually Annotated
Plant	Vicia faba	FooDB	Manually Annotated
Plant	Vaccinium reticulatum	FooDB	Manually Annotated
Plant	Solanum quitoense	FooDB	Manually Annotated
Plant	Ginkgo biloba	FooDB	Manually Annotated
Plant	Theobroma grandiflorum	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant	Flammulina velutipes	FooDB	Manually Annotated
Plant	Satureja montana	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Vitis vinifera	FooDB	Manually Annotated
Plant	Citrus japonica	FooDB	Manually Annotated
Plant	Prunus avium	FooDB	Manually Annotated
Plant	Perideridia oregana	FooDB	Manually Annotated
Plant	Vaccinium arboreum	FooDB	Manually Annotated
Plant	Pouteria sapota	FooDB	Manually Annotated
Plant	Wasabia japonica	FooDB	Manually Annotated
Plant	Piper nigrum	FooDB	Manually Annotated
Plant	Origanum onites	FooDB	Manually Annotated
Plant	Capsicum annuum	FooDB	Manually Annotated
Plant	Origanum vulgare	FooDB	Manually Annotated
Plant	Viburnum edule	FooDB	Manually Annotated
Plant	Dioscorea	FooDB	Manually Annotated
Plant	Brassica oleracea var. italica	FooDB	Manually Annotated
Plant	Momordica charantia	FooDB	Manually Annotated
Plant	Vaccinium uliginosum	FooDB	Manually Annotated
Plant	Castanea	FooDB	Manually Annotated
Plant	Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant	Pleurotus ostreatus	FooDB	Manually Annotated
Plant	Cirsium	FooDB	Manually Annotated
Plant	Solanum melongena	FooDB	Manually Annotated
Plant	Opuntia	FooDB	Manually Annotated
Plant	Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant	Colocasia esculenta	FooDB	Manually Annotated
Plant	Prunus persica var. persica	FooDB	Manually Annotated
Plant	Anthriscus cerefolium	FooDB	Manually Annotated
Plant	Nuphar lutea	FooDB	Manually Annotated
Plant	Myristica fragrans	FooDB	Manually Annotated
Plant	Pachyrhizus erosus	FooDB	Manually Annotated
Plant	Lupinus albus	FooDB	Manually Annotated
Plant	Cichorium endivia	FooDB	Manually Annotated
Plant	Apium graveolens	FooDB	Manually Annotated
Plant	Elaeis	FooDB	Manually Annotated
Plant	Cinnamomum	FooDB	Manually Annotated
Plant	Ribes uva-crispa	FooDB	Manually Annotated
Plant	Feijoa sellowiana	FooDB	Manually Annotated
Plant	Dysphania ambrosioides	FooDB	Manually Annotated
Plant	Raphanus sativus var. niger	FooDB	Manually Annotated
Plant	Photinia melanocarpa	FooDB	Manually Annotated
Plant	Salvia officinalis	FooDB	Manually Annotated
Plant	Rheum rhabarbarum	FooDB	Manually Annotated
Plant	Vaccinium	FooDB	Manually Annotated
Plant	Lablab purpureus	FooDB	Manually Annotated
Plant	Crocus sativus	FooDB	Manually Annotated
Plant	Citrus maxima	FooDB	Manually Annotated
Plant	Syzygium jambos	FooDB	Manually Annotated
Plant	Salix pulchra	FooDB	Manually Annotated
Plant	Castanea sativa	FooDB	Manually Annotated
Plant	Cydonia oblonga	FooDB	Manually Annotated
Plant	Annona muricata	FooDB	Manually Annotated
Plant	Fagus	FooDB	Manually Annotated
Plant	Cucurbita	FooDB	Manually Annotated
Plant	Opuntia cochenillifera	FooDB	Manually Annotated
Plant	Vaccinium ovatum	FooDB	Manually Annotated
Plant	Cocos nucifera	FooDB	Manually Annotated
Plant	Phaseolus coccineus	FooDB	Manually Annotated
Plant	Thymus pulegioides	FooDB	Manually Annotated
Plant	Tamarindus indica	FooDB	Manually Annotated
Plant	Mespilus germanica	FooDB	Manually Annotated
Plant	Brassica rapa var. perviridis	FooDB	Manually Annotated
Plant	Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Mentha aquatica	FooDB	Manually Annotated
Plant	Salvia elegans	FooDB	Manually Annotated
Plant	Mentha	FooDB	Manually Annotated
Plant	Sagittaria latifolia	FooDB	Manually Annotated
Plant	Solanum tuberosum	FooDB	Manually Annotated
Plant	Olea europaea	FooDB	Manually Annotated
Plant	Sambucus	FooDB	Manually Annotated
Plant	Pinus	FooDB	Manually Annotated
Plant	Psidium guajava	FooDB	Manually Annotated
Plant	Syzygium cumini	FooDB	Manually Annotated
Plant	Tilia tomentosa	FooDB	Manually Annotated
Plant	Typha angustifolia	FooDB	Manually Annotated
Plant	Daucus carota	FooDB	Manually Annotated
Plant	Empetrum nigrum	FooDB	Manually Annotated
Plant	Valerianella locusta	FooDB	Manually Annotated
Plant	Myrica rubra	FooDB	Manually Annotated
Plant	Vaccinium vitis-idaea	FooDB	Manually Annotated
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant	Sisymbrium	FooDB	Manually Annotated
Plant	Vanilla	FooDB	Manually Annotated
Plant	Carya	FooDB	Manually Annotated

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.99	1.32	uM	Adult (>18 years old)	Both	Epilepsy	HMDB	15993662
Human Cerebrospinal fluid (csf)	Detected and Quantified	2.59	1.77	uM	Adult (>18 years old)	Both	Neuroinfection	HMDB	15993662
Human Cerebrospinal fluid (csf)	Detected and Quantified	2.11	1.93	uM	Adult (>18 years old)	Both	Rachialgia	HMDB	15993662
Human Cerebrospinal fluid (csf)	Detected and Quantified	2.55	1.62	uM	Adult (>18 years old)	Both	Stroke	HMDB	15993662
Human Cerebrospinal fluid (csf)	Detected and Quantified	4.05	0.03	uM	Adult (>18 years old)	Both	Subarachnoid hemorrhage	HMDB	15993662
Human Cerebrospinal fluid (csf)	Detected and Quantified	1.86	0.027	uM	Adult (>18 years old)	Both	Normal	HMDB	15993662
Human Blood	Detected and Quantified	15.0	2.0	uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	18.0	8.0	uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.

External Links

HMDB ID

HMDB0001201

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

References

Synthesis Reference

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 ]

Showing metabocard for Guanosine diphosphate (MMDBc0029588)

MOL for #<Metabolite:0x00007fdb38cb89d0>

3D MOL for #<Metabolite:0x00007fdb38cb89d0>

3D SDF for #<Metabolite:0x00007fdb38cb89d0>

3D-SDF for #<Metabolite:0x00007fdb38cb89d0>

PDB for #<Metabolite:0x00007fdb38cb89d0>

3D PDB for #<Metabolite:0x00007fdb38cb89d0>

SMILES for #<Metabolite:0x00007fdb38cb89d0>

INCHI for #<Metabolite:0x00007fdb38cb89d0>

Structure for #<Metabolite:0x00007fdb38cb89d0>

3D Structure for #<Metabolite:0x00007fdb38cb89d0>