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CHEBI:134055 - (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate

ChEBI IDCHEBI:134055
ChEBI Name(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate
Stars
ASCII Name(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate
DefinitionAn octadecanoid anion that is the conjugate base of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified22 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC18H27O3
Net Charge-1
Average Mass291.411
Monoisotopic Mass291.19657
SMILESCC/C=C\C[C@@H]1O/C1=C\C=C/CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/p-1/b10-3-,11-8-,17-14-/t16-/m0/s1
InChIKeyYZBZORUZOSCZRN-DCUPSMFCSA-M
ChEBI Ontology
Outgoing Relation(s)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is a long-chain fatty acid anion (CHEBI:57560)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is a octadecanoid anion (CHEBI:131860)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is a polyunsaturated fatty acid anion (CHEBI:76567)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is conjugate base of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid (CHEBI:136633)
Incoming Relation(s)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid (CHEBI:136633) is conjugate acid of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055)
IUPAC Name 
(9Z,11Z)-11-{(3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}undec-9-enoate
UniProt Name  Source
12,13-epoxy-(9Z,11E,15Z)-octadecatrienoateUniProt
Citations