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CHEBI:59427 - (9R,13R)-12-oxophytodienoate

Default Structure
ChEBI IDCHEBI:59427
ChEBI Name(9R,13R)-12-oxophytodienoate
Stars
ASCII Name(9R,13R)-12-oxophytodienoate
DefinitionConjugate base of (9R,13R)-12-oxophytodienoic acid.
Last Modified12 May 2010
SubmitterSteve
DownloadsMolfile
FormulaC18H27O3
Net Charge-1
Average Mass291.411
Monoisotopic Mass291.19657
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)/p-1/b7-3-/t15-,16-/m1/s1
InChIKeyPMTMAFAPLCGXGK-GTOOTHNYSA-M
ChEBI Ontology
Outgoing Relation(s)
(9R,13R)-12-oxophytodienoate (CHEBI:59427) is a oxo monocarboxylic acid anion (CHEBI:35902)
(9R,13R)-12-oxophytodienoate (CHEBI:59427) is conjugate base of (9R,13R)-12-oxophytodienoic acid (CHEBI:34005)
Incoming Relation(s)
(9R,13R)-12-oxophytodienoic acid (CHEBI:34005) is conjugate acid of (9R,13R)-12-oxophytodienoate (CHEBI:59427)
IUPAC Name 
8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate