Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	62687
Common Name:	8-oxo-dGMP
Systematic Name:	2'-deoxy-8-oxo-7,8-dihydroguanosine 5'-(dihydrogen phosphate)
Synonyms:	2'-deoxy-7,8-dihydro-8-oxo-5'-guanylic acid; 2'-deoxy-7,8-dihydro-8-oxoguanosine 5'-monophosphate; 8-OH-Dgmp; 8-hydroxydeoxyguanosine 5'-monophosphate; 8-oxo-2'-deoxyguanosine-5'-monophosphate [PubChem Synonyms]
Exact Mass:	363.0580 (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:	C10H14N5O8P
InChIKey:	AQIVLFLYHYFRKU-VPENINKCSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Purine nucleotides [C0001506]
ClassyFire subclass:	Purine deoxyribonucleotides [C0002134]
ClassyFire direct parent:	Purine 2'-deoxyribonucleoside monophosphates [C0002141]
SMILES:	C1[C@@H]([C@@H](COP(=O)(O)O)O[C@H]1n1c2c(c(=O)[nH]c(N)n2)[nH]c1=O)O
Studies:	-

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PubChem CID:	135488904
CHEBI ID:	63223
MetaCyc ID:	CPD-12365
Plant Metabolite Hub(Pmhub):	MS000027569

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