Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	66149
Common Name:	15-HEDE
Systematic Name:	(11Z,13E)-15-hydroxyicosa-11,13-dienoic acid
Synonyms:	(+-)-15-HEDE; 15-hydroxy-11Z,13E-eicosadienoic acid [PubChem Synonyms]
Exact Mass:	324.2664 (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:	C20H36O3
InChIKey:	ZTRWPEHMGCHTIT-QWAPPMFBSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
SMILES:	CCCCCC(/C=C/C=CCCCCCCCCCC(=O)O)O
Studies:	Available studies(via PubChem CID)

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PubChem CID:	13723965
CHEBI ID:	72847

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