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

Default Structure
ChEBI IDCHEBI:34005
ChEBI Name(9R,13R)-12-oxophytodienoic acid
Stars
ASCII Name(9R,13R)-12-oxophytodienoic acid
DefinitionThe (9R,13R)-diastereomer of 12-oxophytodienoic acid.
Last Modified24 January 2023
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-/m1/s1
InChIKeyPMTMAFAPLCGXGK-GTOOTHNYSA-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)
(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 Relation(s)
(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