Metabolomics Structure Database

 
MW REGNO: 4482
Common Name:L-Octanoylcarnitine
Systematic Name:O-octanoyl-R-carnitine
RefMet Name:CAR 8:0
Synonyms:L-Octanoylcarnitine [PubChem Synonyms]
Exact Mass:
287.2097 (neutral)    Calculate m/z:
Formula:C15H29NO4
InChIKey:CXTATJFJDMJMIY-CYBMUJFWSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty esters [FA07]
LIPID MAPS subclass:Fatty acyl carnitines [FA0707]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CCCCCCCC(=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:11953814
LIPID MAPS ID:LMFA07070002
CHEBI ID:18102
HMDB ID:HMDB0000791
KEGG ID:C02838
Chemspider ID:10128115
MetaCyc ID:L-OCTANOYLCARNITINE
NP-MRD ID(NMR):NP0000302
Plant Metabolite Hub(Pmhub):MS000009795

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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