Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37959
Common Name:	5-Hydroxypyrazinamide
Systematic Name:	5-oxo-4,5-dihydropyrazine-2-carboxamide
RefMet Name:	5-Hydroxypyrazinamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	139.0382 (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:	C5H5N3O2
InChIKey:	XENWQEOTDAQROM-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazines [C0001346]
ClassyFire subclass:	Pyrazines [C0000067]
ClassyFire direct parent:	Pyrazinecarboxamides [C0002085]
Massbank MS spectra:	View MS spectra
SMILES:	c1c(C(=O)N)ncc(=O)[nH]1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	151823
CHEBI ID:	166571
HMDB ID:	HMDB0001978
KEGG ID:	C01956
Chemspider ID:	133812
METLIN ID:	6413
EPA CompTox DB:	DTXCID90216118
Plant Metabolite Hub(Pmhub):	MS000000895

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