Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37984
Common Name:	8-Hydroxyguanine
Systematic Name:	2-amino-6,7,8,9-tetrahydro-1H-purine-6,8-dione
RefMet Name:	8-Hydroxyguanine
Synonyms:	[PubChem Synonyms]
Exact Mass:	167.0443 (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:	C5H5N5O2
InChIKey:	CLGFIVUFZRGQRP-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Imidazopyrimidines [C0001797]
ClassyFire subclass:	Purines and purine derivatives [C0000245]
ClassyFire direct parent:	Hypoxanthines [C0000246]
MoNA MS spectra:	View MS spectra
SMILES:	c12c(nc(N)[nH]c1=O)[nH]c(=O)[nH]2
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	135420630
CHEBI ID:	52617
HMDB ID:	HMDB0002032
KEGG ID:	C20155
Chemspider ID:	58661
MetaCyc ID:	CPD-12427
EPA CompTox DB:	DTXCID30221120
Plant Metabolite Hub(Pmhub):	MS000027678

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