Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	65577
Common Name:	Pyrazine-2-carboxylic acid
Systematic Name:	pyrazine-2-carboxylic acid
RefMet Name:	Pyrazine-2-carboxylic ccid
Synonyms:	2-Carboxypyrazine; 2-Pyrazinecarboxylic acid; Paradiazinecarboxylic acid; Pyrazinemonocarboxylic acid; Pyrazinic acid; Pyrazinoic acid; pyrazinecarboxylic acid [PubChem Synonyms]
Exact Mass:	124.0273 (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:	C5H4N2O2
InChIKey:	NIPZZXUFJPQHNH-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazines [C0001346]
ClassyFire subclass:	Pyrazines [C0000067]
ClassyFire direct parent:	Pyrazine carboxylic acids [C0002413]
Massbank MS spectra:	View MS spectra
SMILES:	c1cnc(cn1)C(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	1047
CHEBI ID:	71311
HMDB ID:	HMDB0059734
Plant Metabolite Hub(Pmhub):	MS000027527

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