Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42491
Common Name:	2-hydroxypyridine
Systematic Name:	pyridin-2-ol
RefMet Name:	2-Hydroxypyridine
Synonyms:	[PubChem Synonyms]
Exact Mass:	95.0371 (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:	C5H5NO
InChIKey:	UBQKCCHYAOITMY-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds
ClassyFire class:	Pyridines and derivatives
ClassyFire subclass:	Hydropyridines
ClassyFire direct parent:	Pyridinones
Massbank MS spectra:	View MS spectra
SMILES:	c1ccnc(c1)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	8871
CHEBI ID:	16540
HMDB ID:	HMDB0013751
KEGG ID:	C02502
Chemspider ID:	8537
MetaCyc ID:	2-HYDROXYPYRIDINE
EPA CompTox DB:	DTXCID2030271
Plant Metabolite Hub(Pmhub):	MS000007977

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