Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	65368
Common Name:	8-hydroxy-dAMP
Systematic Name:	2'-deoxy-8-hydroxyadenosine 5'-(dihydrogen phosphate)
Synonyms:	8-HO-dAMP; 8-hydroxy-2'-deoxyadenosine 5'-monophosphate; 8-hydroxy-2'-deoxyadenosine monophosphate [PubChem Synonyms]
Exact Mass:	347.0631 (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:	C10H14N5O7P
InChIKey:	QFGWDFAYOAGQDH-KVQBGUIXSA-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(N)ncn2)nc1O)O
Studies:	-

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PubChem CID:	11046252
CHEBI ID:	70964

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