Metabolomics Structure Database

 
MW REGNO: 4483
Common Name:O-butanoyl-carnitine
Systematic Name:O-butanoyl-carnitine
RefMet Name:CAR 4:0
Synonyms:O-Butanoylcarnitine [PubChem Synonyms]
Exact Mass:
231.1471 (neutral)    Calculate m/z:
Formula:C11H21NO4
InChIKey:QWYFHHGCZUCMBN-SECBINFHSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty esters [FA07]
LIPID MAPS subclass:Fatty acyl carnitines [FA0707]
MoNA MS spectra:View MS spectra
SMILES:CCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:213144
LIPID MAPS ID:LMFA07070003
CHEBI ID:21949
HMDB ID:HMDB0002013
KEGG ID:C02862

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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