Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:18:41 UTC
Update Date2022-08-12 20:09:36 UTC
Metabolite IDMMDBc0056171
Metabolite Identification
Common NameN(2)-(1-hydroxy-2-oxoethyl)-GTP
Description9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonatooxy)phosphoryl phosphonato]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxoethyl)imino]-3,9-dihydro-2H-purin-6-olate belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Based on a literature review very few articles have been published on 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonatooxy)phosphoryl phosphonato]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxoethyl)imino]-3,9-dihydro-2H-purin-6-olate.
Structure
Synonyms
ValueSource
9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-({[hydroxy(phosphonatooxy)phosphoryl phosphonato]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxoethyl)imino]-3,9-dihydro-2H-purin-6-olic acidGenerator
Molecular FormulaC12H14N5O16P3
Average Mass577.186
Monoisotopic Mass576.967034704
IUPAC Name9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonooxy)phosphoryl phosphono]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxoethyl)imino]-3,9-dihydro-2H-purin-6-olate
Traditional Name9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonooxy)phosphoryl phosphono]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxoethyl)imino]-3H-purin-6-olate
CAS Registry NumberNot Available
SMILES
[H]C(O)(C=O)N=C1NC2=C(N=CN2[C@]2([H])O[C@]([H])(COP([O-])(=O)OP(O)(=O)OP([O-])([O-])=O)[C@@]([H])(O)[C@@]2([H])O)C([O-])=N1
InChI Identifier
InChI=1S/C12H18N5O16P3/c18-1-5(19)14-12-15-9-6(10(22)16-12)13-3-17(9)11-8(21)7(20)4(31-11)2-30-35(26,27)33-36(28,29)32-34(23,24)25/h1,3-5,7-8,11,19-21H,2H2,(H,26,27)(H,28,29)(H2,23,24,25)(H2,14,15,16,22)/p-4/t4-,5?,7-,8-,11-/m1/s1
InChI KeyUOSQWCIOFGIVKX-VXSOYKKHSA-J