Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	62678
Common Name:	2-hydroxy-dAMP
Systematic Name:	2'-deoxy-2-oxo-3-hydroadenosine 5'-(dihydrogen phosphate)
Synonyms:	2'-deoxy-2-hydroxyadenosine 5'-(dihydrogen phosphate); 2'-deoxyisoguanosine monophosphate; 2-HO-dAMP; 2-OH-dAMP [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:	GEQDRKVFKBSPSW-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]1n1cnc2c(N)nc(=O)[nH]c12)O
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6323381
CHEBI ID:	63211
HMDB ID:	HMDB0059594
Plant Metabolite Hub(Pmhub):	MS000027571

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