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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (15Z)-12-oxophyto-10,15-dienoic acid
ChEBI ID CHEBI:15560
ChEBI ASCII Name (15Z)-12-oxophyto-10,15-dienoic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:148, CHEBI:10825, CHEBI:19141, CHEBI:19142
Supplier Information
Download Molfile XML SDF
Formula C18H28O3
Net Charge 0
Average Mass 292.41312
Monoisotopic Mass 292.20384
InChI InChI=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
InChIKey PMTMAFAPLCGXGK-JMTMCXQRSA-N
SMILES CC\C=C/C[C@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 oxo carboxylic acid (CHEBI:25754)
(15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560) is a unsaturated fatty acid (CHEBI:27208)
(15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560) is conjugate acid of (15Z)-12-oxophyto-10,15-dienoate (CHEBI:57411)
Incoming (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 Sources
(15Z)-12-Oxophyto-10,15-dienoate KEGG COMPOUND
(15Z)-12-Oxophyto-10,15-dienoic acid KEGG COMPOUND
12-OPDA KEGG COMPOUND
12-Oxo-10,15(Z)-phytodienoic acid KEGG COMPOUND
12-oxophytodienoic acid ChemIDplus
4-oxo-5-(2-pentenyl)-2-Cyclopentene-1-octanoic acid ChemIDplus
8-(2-(cis-2'-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid ChemIDplus
9(S),13(S)-12-Oxo-PDA KEGG COMPOUND
OPDA ChEBI
Manual Xrefs Databases
C00000365 KNApSAcK
C01226 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
4354678 Beilstein Registry Number Beilstein
67204-66-4 CAS Registry Number ChemIDplus
Last Modified
07 January 2019