Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2764
Common Name:	11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
Systematic Name:	11R,12S-epoxy-8-hydroxy-5Z,9E,14Z-eicosatrienoic acid
RefMet Name:	11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
Synonyms:	(5Z,9E,14Z)-(11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate; (5Z,9E,14Z)-(11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid [PubChem Synonyms]
Exact Mass:	336.2301 (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:	C20H32O4
InChIKey:	SGTUOBURCVMACZ-CIQDQOFUSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Epoxyeicosatrienoic acids [FA0308]
SMILES:	CCCCC/C=CC[C@H]1[C@@H](/C=C/C(C/C=CCCCC(=O)O)O)O1
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5460414
LIPID MAPS ID:	LMFA03080012
CHEBI ID:	15631
HMDB ID:	HMDB0004688
KEGG ID:	C04849
Chemspider ID:	4573947
Plant Metabolite Hub(Pmhub):	MS000018521

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