CHEBI:133845 - 9-oxo-ODE(1−)

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ChEBI Name 9-oxo-ODE(1−)
ChEBI ID CHEBI:133845
ChEBI ASCII Name 9-oxo-ODE(1-)
Definition A octadecanoid anion that is the conjugate base of 9-oxo-ODE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information eMolecules:1360357, ZINC000000538471
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Formula C18H29O3
Net Charge -1
Average Mass 293.422
Monoisotopic Mass 293.21222
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b8-6-,14-11+
InChIKey LUZSWWYKKLTDHU-ZJHFMPGASA-M
SMILES C(=C/C=C/C(CCCCCCCC([O-])=O)=O)/CCCCC
ChEBI Ontology
Outgoing 9-oxo-ODE(1−) (CHEBI:133845) is a long-chain fatty acid anion (CHEBI:57560)
9-oxo-ODE(1−) (CHEBI:133845) is a octadecanoid anion (CHEBI:131860)
9-oxo-ODE(1−) (CHEBI:133845) is a oxo fatty acid anion (CHEBI:59836)
9-oxo-ODE(1−) (CHEBI:133845) is conjugate base of 9-oxo-ODE (CHEBI:72842)
Incoming 9-oxo-ODE (CHEBI:72842) is conjugate acid of 9-oxo-ODE(1−) (CHEBI:133845)
IUPAC Name
(10E,12Z)-9-oxooctadeca-10,12-dienoate
Synonyms Sources
(10E,12Z)-9-oxooctadecadienoate ChEBI
9-keto-ODE(1−) ChEBI
9-ketoODE(1−) SUBMITTER
9-oxo-(10E,12Z)-octadecadienoate UniProt
9-oxoODE(1−) ChEBI
Citation
Last Modified
01 March 2017