Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:06:20 UTC
Update Date2022-09-01 02:28:25 UTC
Metabolite IDMMDBc0054309
Metabolite Identification
Common Name8-oxo-GTP
Description({[({[(2R,3S,4R,5R)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid 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 ({[({[(2R,3S,4R,5R)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid is a very strong basic compound (based on its pKa).
Structure
Synonyms
ValueSource
({[({[(2R,3S,4R,5R)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonateGenerator
8-Oxy GTPMeSH
8-Hydroxy-GTPMeSH
8-Hydroxyguanosine triphosphateMeSH
8-oxo-Guanosine triphosphateMeSH
8-oxo-RGTPMeSH
8-Oxoguanosine triphosphateMeSH
Molecular FormulaC10H16N5O15P3
Average Mass539.1798
Monoisotopic Mass538.985574403
IUPAC Name({[({[(2R,3S,4R,5R)-5-(6,8-dihydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Name({[(2R,3S,4R,5R)-5-(6,8-dihydroxy-2-imino-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C(O)=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C10H16N5O15P3/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H,25,26)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1
InChI KeyJCHLKIQZUXYLPW-UMMCILCDSA-N