Metabolomics Structure Database

 
MW REGNO: 37821
Common Name:Nicotinic acid
Systematic Name:pyridine-3-carboxylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
123.0320 (neutral)    Calculate m/z:
Formula:C6H5NO2
InChIKey:PVNIIMVLHYAWGP-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyridines and derivatives [C0000089]
ClassyFire subclass:Pyridinecarboxylic acids and derivatives [C0001322]
ClassyFire direct parent:Pyridinecarboxylic acids [C0002414]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:938
CHEBI ID:15940
HMDB ID:HMDB0001488
KEGG ID:C00253
Chemspider ID:913
METLIN ID:6272
BMRB ID:bmse000104
MetaCyc ID:NIACINE
EPA CompTox DB:DTXCID10932

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

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