MiMeDB: Showing metabocard for 8-oxo-GDP (MMDBc0055659)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:01:28 UTC

Update Date

2022-08-12 20:09:27 UTC

Metabolite ID

MMDBc0055659

Metabolite Identification

Common Name

8-oxo-GDP

Description

9-[(2R,3R,4S,5R)-5-({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-2-imino-3,9-dihydro-2H-purine-6,8-bis(olate) belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. Based on a literature review very few articles have been published on 9-[(2R,3R,4S,5R)-5-({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-2-imino-3,9-dihydro-2H-purine-6,8-bis(olate).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222012D          

 33 35  0  0  1  0            999 V2000
   -1.8505   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9267   -7.1462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8334   -6.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1924   -6.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9166   -4.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -5.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643   -4.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0991   -5.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0129   -6.3257    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317   -5.0203    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -4.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -3.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -2.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
  8 15  1  1  0  0  0
 15 10  1  0  0  0  0
  4 16  1  6  0  0  0
  5 17  1  6  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 25  1  1  0  0  0  0
 26  2  1  0  0  0  0
 26  8  1  0  0  0  0
 28 20  1  0  0  0  0
 28 21  1  0  0  0  0
 28 22  2  0  0  0  0
 28 27  1  0  0  0  0
 29 23  1  0  0  0  0
 29 24  2  0  0  0  0
 29 25  1  0  0  0  0
 29 27  1  0  0  0  0
  2 30  1  6  0  0  0
  4 31  1  1  0  0  0
  5 32  1  1  0  0  0
  8 33  1  6  0  0  0
M  CHG  3  18  -1  19  -1  20  -1
M  END


  Mrv1652306172222012D          

 33 35  0  0  1  0            999 V2000
   -1.8505   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9267   -7.1462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8334   -6.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1924   -6.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9166   -4.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -5.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643   -4.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0991   -5.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0129   -6.3257    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317   -5.0203    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -4.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -3.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -2.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
  8 15  1  1  0  0  0
 15 10  1  0  0  0  0
  4 16  1  6  0  0  0
  5 17  1  6  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 25  1  1  0  0  0  0
 26  2  1  0  0  0  0
 26  8  1  0  0  0  0
 28 20  1  0  0  0  0
 28 21  1  0  0  0  0
 28 22  2  0  0  0  0
 28 27  1  0  0  0  0
 29 23  1  0  0  0  0
 29 24  2  0  0  0  0
 29 25  1  0  0  0  0
 29 27  1  0  0  0  0
  2 30  1  6  0  0  0
  4 31  1  1  0  0  0
  5 32  1  1  0  0  0
  8 33  1  6  0  0  0
M  CHG  3  18  -1  19  -1  20  -1
M  END
> <DATABASE_ID>
MMDBc0055659

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(COP(O)(=O)OP(O)([O-])=O)O[C@@]([H])(N2C([O-])=NC3=C2NC(=N)N=C3[O-])[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5O12P2/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(26-8)1-25-29(23,24)27-28(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H2,20,21,22)(H3,11,13,14,18)/p-3/t2-,4-,5-,8-/m1/s1

> <INCHI_KEY>
PQVZQFDCRLHZRP-UMMCILCDSA-K

> <FORMULA>
C10H12N5O12P2

> <MOLECULAR_WEIGHT>
456.178

> <EXACT_MASS>
455.997415582

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
35.385623407610744

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-[(2R,3R,4S,5R)-5-({[(hydrogen phosphonooxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-2-imino-3,9-dihydro-2H-purine-6,8-bis(olate)

> <JCHEM_LOGP>
-2.174549762

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.2103866177354417

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.771741664598856

> <JCHEM_PKA_STRONGEST_BASIC>
-3.668934830233817

> <JCHEM_POLAR_SURFACE_AREA>
277.99

> <JCHEM_REFRACTIVITY>
118.3811

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
9-[(2R,3R,4S,5R)-5-({[hydrogen phosphonooxy(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-2-imino-3H-purine-6,8-bis(olate)

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      -3.454  -6.934   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.208  -6.029   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.744  -6.505   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.161  -5.259   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       5.198  -2.843   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       2.530  -2.843   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       3.864  -0.533   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      -0.268  -7.970   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       1.701  -5.259   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O-1
HETATM   19  O   UNK     0      -2.713  -1.303   0.000  0.00  0.00           O-1
HETATM   20  O   UNK     0      -5.463 -13.339   0.000  0.00  0.00           O-1
HETATM   21  O   UNK     0      -7.156 -11.969   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.093 -11.647   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -5.444  -8.125   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -3.634 -10.617   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -3.293  -8.466   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.208  -4.489   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -5.785 -10.276   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0      -5.624 -11.808   0.000  0.00  0.00           P+0
HETATM   29  P   UNK     0      -4.539  -9.371   0.000  0.00  0.00           P+0
HETATM   30  H   UNK     0      -1.967  -7.550   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       0.777  -6.746   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       0.861  -3.887   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -1.833  -2.924   0.000  0.00  0.00           H+0
CONECT    1    2   25                                                       
CONECT    2    1    4   26   30                                             
CONECT    3    6    7   12                                                  
CONECT    4    2    5   16   31                                             
CONECT    5    4    8   17   32                                             
CONECT    6    3   13   15                                                  
CONECT    7    3   14   18                                                  
CONECT    8    5   15   26   33                                             
CONECT    9   11   13   14                                                  
CONECT   10   12   15   19                                                  
CONECT   11    9                                                            
CONECT   12    3   10                                                       
CONECT   13    6    9                                                       
CONECT   14    7    9                                                       
CONECT   15    6    8   10                                                  
CONECT   16    4                                                            
CONECT   17    5                                                            
CONECT   18    7                                                            
CONECT   19   10                                                            
CONECT   20   28                                                            
CONECT   21   28                                                            
CONECT   22   28                                                            
CONECT   23   29                                                            
CONECT   24   29                                                            
CONECT   25    1   29                                                       
CONECT   26    2    8                                                       
CONECT   27   28   29                                                       
CONECT   28   20   21   22   27                                             
CONECT   29   23   24   25   27                                             
CONECT   30    2                                                            
CONECT   31    4                                                            
CONECT   32    5                                                            
CONECT   33    8                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

Synonyms

Value	Source
9-[(2R,3R,4S,5R)-5-({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-2-imino-3,9-dihydro-2H-purine-6,8-bis(olic acid)	Generator

Molecular Formula

C₁₀H₁₂N₅O₁₂P₂

Average Mass

456.178

Monoisotopic Mass

455.997415582

IUPAC Name

9-[(2R,3R,4S,5R)-5-({[(hydrogen phosphonooxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-2-imino-3,9-dihydro-2H-purine-6,8-bis(olate)

Traditional Name

9-[(2R,3R,4S,5R)-5-({[hydrogen phosphonooxy(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-2-imino-3H-purine-6,8-bis(olate)

CAS Registry Number

Not Available

SMILES

[H][C@]1(COP(O)(=O)OP(O)([O-])=O)O[C@@]([H])(N2C([O-])=NC3=C2NC(=N)N=C3[O-])[C@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C10H15N5O12P2/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(26-8)1-25-29(23,24)27-28(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H2,20,21,22)(H3,11,13,14,18)/p-3/t2-,4-,5-,8-/m1/s1

InChI Key

PQVZQFDCRLHZRP-UMMCILCDSA-K

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
Purinone
Imidazopyrimidine
Purine
Pyrimidone
Aminopyrimidine
Pyrimidine
Alkyl phosphate
Phosphoric acid ester
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Vinylogous amide
Azole
Imidazole
Oxolane
Heteroaromatic compound
Urea
Secondary alcohol
1,2-diol
Organoheterocyclic compound
Azacycle
Oxacycle
Alcohol
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Primary amine
Amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-2.2	ChemAxon
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	277.99 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	118.38 m³·mol⁻¹	ChemAxon
Polarizability	35.39 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

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0017042	8-oxo-GTP	8-oxo-GDP	8-oxo-(d)GTP phosphatase	Dephosphorylation	RHEA	34755880
MMDBr0017224	8-oxo-GDP	8-oxo-GMP	ADP-ribose pyrophosphatase	Dephosphorylation	RHEA	34755880

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Actinobacteria	3	Human
Bacteria	Proteobacteria	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

90657739

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 8-oxo-GDP (MMDBc0055659)

MOL for #<Metabolite:0x00007fa4ae565b80>

3D MOL for #<Metabolite:0x00007fa4ae565b80>

3D SDF for #<Metabolite:0x00007fa4ae565b80>

3D-SDF for #<Metabolite:0x00007fa4ae565b80>

PDB for #<Metabolite:0x00007fa4ae565b80>

3D PDB for #<Metabolite:0x00007fa4ae565b80>

SMILES for #<Metabolite:0x00007fa4ae565b80>

INCHI for #<Metabolite:0x00007fa4ae565b80>

Structure for #<Metabolite:0x00007fa4ae565b80>

3D Structure for #<Metabolite:0x00007fa4ae565b80>