Metabolomics Structure Database

 
MW REGNO: 65277
Common Name:Isovaleryl-L-carnitine
Systematic Name:(3R)-3-[(3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
RefMet Name:CAR 4:0;3Me
Synonyms: [PubChem Synonyms]
Exact Mass:
245.1627 (neutral)    Calculate m/z:
Formula:C12H23NO4
InChIKey:IGQBPDJNUXPEMT-SNVBAGLBSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty esters [FA07]
LIPID MAPS subclass:Fatty acyl carnitines [FA0707]
SMILES:CC(C)CC(=O)O[C@@H](C[N+](C)(C)C)CC([O-])=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:169235
LIPID MAPS ID:LMFA07070077
CHEBI ID:70819

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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