Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38857
Common Name:	Gamma-linolenyl carnitine
Systematic Name:	(4S)-4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-4-(trimethylazaniumyl)butanoate
RefMet Name:	gamma-Linolenyl carnitine
Synonyms:	[PubChem Synonyms]
Exact Mass:	421.3192 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C25H43NO4
InChIKey:	VDPMHVILMVSAQX-BAHSRKMSSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty esters [FA07]
LIPID MAPS subclass:	Wax diesters [FA0702]
SMILES:	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	53477819
HMDB ID:	HMDB0006318

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