Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2074
Common Name:	9(10)-EpOME
Systematic Name:	9,10-epoxy-12Z-octadecenoic acid
RefMet Name:	9(10)-EpOME
Synonyms:	Coronaric acid; cis-9,10-EpOME [PubChem Synonyms]
Exact Mass:	296.2351 (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:	C18H32O3
InChIKey:	FBUKMFOXMZRGRB-YFHOEESVSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Octadecanoids [FA02]
LIPID MAPS subclass:	Other Octadecanoids [FA0200]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCC/C=CCC1C(CCCCCCCC(=O)O)O1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6246154
LIPID MAPS ID:	LMFA02000037
CHEBI ID:	34494
HMDB ID:	HMDB0004701
KEGG ID:	C14825
Chemspider ID:	4861048
Plant Metabolite Hub(Pmhub):	MS000008768

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