Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	93703
Common Name:	trans-2-Tetradecenoylcarnitine
Systematic Name:	O-(2E-Tetradecenoyl)-R-carnitine
RefMet Name:	trans-2-Tetradecenoylcarnitine
Synonyms:	CAR(14:1(2E)) [PubChem Synonyms]
Exact Mass:	369.2879 (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:	C21H39NO4
InChIKey:	BUBHHSHBKWNLLG-CLHDZIPGSA-N
LIPID MAPS Category:	Fatty Acyls
LIPID MAPS mainclass:	Fatty esters
LIPID MAPS subclass:	Acyl carnitines
SMILES:	CCCCCCCCCCC/C=C/C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Studies:	Available studies (via RefMet name)

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PubChem CID:	136212425
CHEBI ID:	89716
HMDB ID:	HMDB0013329

Calculated physicochemical properties:

No data available

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