Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	66262
Common Name:	(11Z)-eicoseneoylcarnitine
Systematic Name:	3-[(11Z)-icos-11-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms:	(11Z)-icoseneoylcarnitine; 11-cis-eicoseneoylcarnitine; 11-cis-icoseneoylcarnitine; 3-[(11Z)-icos-11-enoyloxy]-4-(trimethylammonio)butanoate [PubChem Synonyms]
Exact Mass:	453.3818 (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:	C27H51NO4
InChIKey:	PVOQPLSKYNZHOT-SEYXRHQNSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty esters [FA07]
LIPID MAPS subclass:	Fatty acyl carnitines [FA0707]
SMILES:	CCCCCCCC/C=CCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	71464507
LIPID MAPS ID:	LMFA07070010
CHEBI ID:	73118
HMDB ID:	HMDB0240746

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