Metabolomics Structure Database

 
MW REGNO: 38490
Common Name:N1-Methyl-4-pyridone-3-carboxamide
Systematic Name:1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
RefMet Name:N1-Methyl-4-pyridone-3-carboxamide
Synonyms: [PubChem Synonyms]
Exact Mass:
152.0586 (neutral)    Calculate m/z:
Formula:C7H8N2O2
InChIKey:KTLRWTOPTKGYQY-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyridines and derivatives [C0000089]
ClassyFire subclass:Pyridinecarboxylic acids and derivatives [C0001322]
ClassyFire direct parent:Nicotinamides [C0002253]
MoNA MS spectra:View MS spectra
SMILES:Cn1ccc(=O)c(C(N)=O)c1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:440810
CHEBI ID:27838
HMDB ID:HMDB0004194
KEGG ID:C05843
Chemspider ID:389671
Plant Metabolite Hub(Pmhub):MS000016022

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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