CHEBI:34005 - (9R,13R)-12-oxophytodienoic acid

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ChEBI Name (9R,13R)-12-oxophytodienoic acid ChEBI ID CHEBI:34005 ChEBI ASCII Name (9R,13R)-12-oxophytodienoic acid Definition The (9R,13R)-diastereomer of 12-oxophytodienoic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H28O3 Net Charge 0 Average Mass 292.41310 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-/m1/s1 InChIKey PMTMAFAPLCGXGK-GTOOTHNYSA-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 (9R,13R)-12-oxophytodienoic acid (CHEBI:34005) is a carbocyclic fatty acid (CHEBI:35744) (9R,13R)-12-oxophytodienoic acid (CHEBI:34005) is a olefinic fatty acid (CHEBI:53339) (9R,13R)-12-oxophytodienoic acid (CHEBI:34005) is a oxo carboxylic acid (CHEBI:25754) (9R,13R)-12-oxophytodienoic acid (CHEBI:34005) is conjugate acid of (9R,13R)-12-oxophytodienoate (CHEBI:59427) Incoming (9R,13R)-12-oxophytodienoate (CHEBI:59427) is conjugate base of (9R,13R)-12-oxophytodienoic acid (CHEBI:34005) IUPAC Name 8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid Last Modified 24 January 2023