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CHEBI:15654 - (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid

ChEBI IDCHEBI:15654
ChEBI Name(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid
Stars
ASCII Name(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid
DefinitionThe (9Z)-isomer of (13S)-12,13-epoxyoctadeca-9,11-dienoic acid.
Secondary ChEBI IDsCHEBI:263, CHEBI:10940, CHEBI:18618
Last Modified10 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCC[C@@H]1O/C1=C\C=C/CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,14,16H,2-7,9-10,12-13,15H2,1H3,(H,19,20)/b11-8-,17-14-/t16-/m0/s1
InChIKeyZFVKKBAQVWQQHP-ALADIWIOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:15654) is a (13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:19135)
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:15654) is conjugate acid of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoate (CHEBI:57465)
Incoming Relation(s)
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoate (CHEBI:57465) is conjugate base of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:15654)
IUPAC Name 
(9Z)-11-[(3S)-3-pentyloxiran-2-ylidene]undec-9-enoic acid
Synonyms  Source
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoateKEGG COMPOUND
13(S)-EODKEGG COMPOUND
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acidKEGG COMPOUND
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoateKEGG COMPOUND
Manual XrefsDatabases
C04594KEGG COMPOUND
LMFA01070015LIPID MAPS
LMFA02000023LIPID MAPS