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CHEBI:34494 - 9(10)-EpOME

ChEBI IDCHEBI:34494
ChEBI Name9(10)-EpOME
Stars
DefinitionAn EpOME obtained by formal epoxidation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).
Last Modified23 October 2015
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCCCCC/C=C\CC1OC1CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
InChIKeyFBUKMFOXMZRGRB-YFHOEESVSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
9(10)-EpOME (CHEBI:34494) is a epoxyoctadecenoic acid (CHEBI:72659)
9(10)-EpOME (CHEBI:34494) is conjugate acid of 9(10)-EpOME(1−) (CHEBI:84023)
Incoming Relation(s)
(9R,10S)-9(10)-EpOME (CHEBI:86022) is a 9(10)-EpOME (CHEBI:34494)
9(10)-EpOME(1−) (CHEBI:84023) is conjugate base of 9(10)-EpOME (CHEBI:34494)
IUPAC Name 
8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid
Synonyms  Source
9(10)-epoxyoctadec-12Z-enoic acidChEBI
9,10-epoxyoctadecenoic acidHMDB
9,10-EOAHMDB
9,10-epoxyoctadec-12(Z)-enoic acidHMDB
9,10-epoxy-12Z-octadecenoic acidLIPID MAPS
Coronaric acidLIPID MAPS
Manual XrefsDatabases
LMFA02000037LIPID MAPS
HMDB0004701HMDB
Registry NumbersSources
Reaxys:4318495Reaxys