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CHEBI:136531 - 13-oxo-9,11-octadecadienoic acid

ChEBI IDCHEBI:136531
ChEBI Name13-oxo-9,11-octadecadienoic acid
Stars
DefinitionAn oxooctadecadienoic acid that is 9,11-octadecadienoic acid in which the oxo group is located at position 13.
Last Modified15 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCCC(=O)C=CC=CCCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)
InChIKeyJHXAZBBVQSRKJR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (27286979)
- MetaboLights (MTBLS253)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
13-oxo-9,11-octadecadienoic acid (CHEBI:136531) is a enone (CHEBI:51689)
13-oxo-9,11-octadecadienoic acid (CHEBI:136531) is a oxooctadecadienoic acid (CHEBI:72812)
Incoming Relation(s)
13-oxo-9E,11E-ODE (CHEBI:72815) is a 13-oxo-9,11-octadecadienoic acid (CHEBI:136531)
13-oxo-9Z,11E-ODE (CHEBI:68947) is a 13-oxo-9,11-octadecadienoic acid (CHEBI:136531)
Synonyms  Source
13-KODEChEBI
13-keto-9,11-octadecadienoic acidChEBI
13-OxoODEChEBI
13-ketoODEChEBI
13-Oxo-ODEChEBI
13-keto-9,11-ODEChEBI
Registry NumbersSources
Reaxys:31382889Reaxys
CAS:31385-09-8ChemIDplus