Metabolomics Structure Database

 
MW REGNO: 93702
Common Name:6-Carboxy-hexanoyl-carnitine
Systematic Name:O-(6-Carboxy-hexanoyl)-R-carnitine
RefMet Name:CAR DC7:0
Synonyms:CAR(DC7:0) [PubChem Synonyms]
Exact Mass:
303.1682 (neutral)    Calculate m/z:
Formula:C14H25NO6
InChIKey:NTBUXPPQHCFLOM-LLVKDONJSA-N
LIPID MAPS Category:Fatty Acyls
LIPID MAPS mainclass:Fatty esters
LIPID MAPS subclass:Acyl carnitines
SMILES:C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CCCCCC(O)=O
Studies:Available studies (via RefMet name)

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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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