Metabolomics Structure Database

 
MW REGNO: 42216
Common Name:Valerylcarnitine
Systematic Name:(3S)-3-(pentanoyloxy)-4-(trimethylazaniumyl)butanoate
RefMet Name:CAR 5:0
Synonyms: [PubChem Synonyms]
Exact Mass:
245.1627 (neutral)    Calculate m/z:
Formula:C12H23NO4
InChIKey:VSNFQQXVMPSASB-JTQLQIEISA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty esters [FA07]
LIPID MAPS subclass:Fatty acyl carnitines [FA0707]
SMILES:CCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:53481619
LIPID MAPS ID:LMFA07070111
CHEBI ID:165624
HMDB ID:HMDB0013128

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

  logo