Metabolomics Structure Database

 
MW REGNO: 26
Common Name:Butyric acid
Systematic Name:Butanoic acid
RefMet Name:Butyric acid
Synonyms:Butanoate; C4:0 [PubChem Synonyms]
Exact Mass:
88.0524 (neutral)    Calculate m/z:
Formula:C4H8O2
InChIKey:FERIUCNNQQJTOY-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Straight chain fatty acids [FA0101]
MoNA MS spectra:View MS spectra
SMILES:CCCC(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:264
LIPID MAPS ID:LMFA01010004
CHEBI ID:30772
HMDB ID:HMDB0000039
KEGG ID:C00246
Chemspider ID:259
METLIN ID:107
BMRB ID:bmse000402
MetaCyc ID:BUTYRIC_ACID
Plant Metabolite Hub(Pmhub):MS000008080

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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