Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:01:28 UTC
Update Date2022-08-12 20:09:27 UTC
Metabolite IDMMDBc0055659
Metabolite Identification
Common Name8-oxo-GDP
Description9-[(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
Synonyms
ValueSource
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 FormulaC10H12N5O12P2
Average Mass456.178
Monoisotopic Mass455.997415582
IUPAC Name9-[(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 Name9-[(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 NumberNot 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 KeyPQVZQFDCRLHZRP-UMMCILCDSA-K