Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	63704
Common Name:	8-oxo-GMP
Systematic Name:	8-oxo-7,8-dihydroguanosine 5'-(dihydrogen phosphate)
Synonyms:	8-oxo-7,8-dihydroguanosine 5'-phosphate; 8-oxoguanosine 5'-phosphate [PubChem Synonyms]
Exact Mass:	379.0529 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H14N5O9P
InChIKey:	MDSQIQSLWQTQDK-UMMCILCDSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Purine nucleotides [C0001506]
ClassyFire subclass:	Purine ribonucleotides [C0001544]
ClassyFire direct parent:	Purine ribonucleoside monophosphates [C0001617]
SMILES:	C([C@@H]1[C@H]([C@H]([C@H](n2c3c(c(=O)[nH]c(N)n3)[nH]c2=O)O1)O)O)OP(=O)(O)O
Studies:	-

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External database links:

PubChem CID:	135567131
CHEBI ID:	65135
MetaCyc ID:	CPD-12367
Plant Metabolite Hub(Pmhub):	MS000251185

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y