Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:18:44 UTC
Update Date2022-08-12 20:09:36 UTC
Metabolite IDMMDBc0056174
Metabolite Identification
Common NameN(2)-(1-hydroxy-2-oxopropyl)-GMP
Description9-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]-9H-purin-6-olate belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Based on a literature review very few articles have been published on 9-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]-9H-purin-6-olate.
Structure
Synonyms
ValueSource
9-[(2R,3R,4S,5R)-5-[(Hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]-9H-purin-6-olic acidGenerator
Molecular FormulaC13H16N5O10P
Average Mass433.271
Monoisotopic Mass433.064575893
IUPAC Name9-[(2R,3R,4S,5R)-5-[(hydrogen phosphonooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]-9H-purin-6-olate
Traditional Name9-[(2R,3R,4S,5R)-5-[(hydrogen phosphonooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]purin-6-olate
CAS Registry NumberNot Available
SMILES
[H]C(O)(NC1=NC2=C(N=CN2[C@]2([H])O[C@]([H])(COP(O)([O-])=O)[C@@]([H])(O)[C@@]2([H])O)C([O-])=N1)C(C)=O
InChI Identifier
InChI=1S/C13H18N5O10P/c1-4(19)10(22)16-13-15-9-6(11(23)17-13)14-3-18(9)12-8(21)7(20)5(28-12)2-27-29(24,25)26/h3,5,7-8,10,12,20-22H,2H2,1H3,(H2,24,25,26)(H2,15,16,17,23)/p-2/t5-,7-,8-,10?,12-/m1/s1
InChI KeyRHIXZSUZFPBGGL-OOPGLKBPSA-L