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CHEBI:15560 - (15Z)-12-oxophyto-10,15-dienoic acid

ChEBI IDCHEBI:15560
ChEBI Name(15Z)-12-oxophyto-10,15-dienoic acid
Stars
ASCII Name(15Z)-12-oxophyto-10,15-dienoic acid
Secondary ChEBI IDsCHEBI:148, CHEBI:10825, CHEBI:19141, CHEBI:19142
Last Modified24 January 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H28O3
Net Charge0
Average Mass292.419
Monoisotopic Mass292.20384
SMILESCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
InChIKeyPMTMAFAPLCGXGK-JMTMCXQRSA-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)
(15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560) is a carbocyclic fatty acid (CHEBI:35744)
(15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560) is a olefinic fatty acid (CHEBI:53339)
(15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560) is a oxo carboxylic acid (CHEBI:25754)
(15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560) is conjugate acid of (15Z)-12-oxophyto-10,15-dienoate (CHEBI:57411)
Incoming Relation(s)
(15Z)-12-oxophyto-10,15-dienoyl-CoA (CHEBI:139064) has functional parent (15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560)
1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol (CHEBI:90577) has functional parent (15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560)
(15Z)-12-oxophyto-10,15-dienoate (CHEBI:57411) is conjugate base of (15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560)
IUPAC Name 
8-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid
Synonyms  Source
9(S),13(S)-12-Oxo-PDAKEGG COMPOUND
12-Oxo-10,15(Z)-phytodienoic acidKEGG COMPOUND
8-(2-(cis-2'-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acidChemIDplus
OPDAChEBI
(15Z)-12-Oxophyto-10,15-dienoic acidKEGG COMPOUND
12-OPDAKEGG COMPOUND
Manual XrefsDatabases
C01226KEGG COMPOUND
C00000365KNApSAcK
Registry NumbersSources
Beilstein:4354678Beilstein
CAS:67204-66-4ChemIDplus