Metabolomics Structure Database

 
MW REGNO: 42281
Common Name:Nonanoylcarnitine
Systematic Name:3-(nonanoyloxy)-4-(trimethylazaniumyl)butanoate
RefMet Name:CAR 9:0
Synonyms: [PubChem Synonyms]
Exact Mass:
301.2253 (neutral)    Calculate m/z:
Formula:C16H31NO4
InChIKey:MPSPNFAQQQMFLK-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty esters [FA07]
LIPID MAPS subclass:Fatty acyl carnitines [FA0707]
SMILES:CCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:53481660
LIPID MAPS ID:LMFA07070082
CHEBI ID:70997
HMDB ID:HMDB0013288

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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