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CHEBI:197078 - Ketoisanic acid

ChEBI IDCHEBI:197078
ChEBI NameKetoisanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O3
Net Charge0
Average Mass288.387
Monoisotopic Mass288.17254
SMILESC=CCCCCC#CC#CC(=O)CCCCCCC(=O)O
InChIInChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2H,1,3-6,9-10,12-13,15-16H2,(H,20,21)
InChIKeySSLASXCMMXZERF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ketoisanic acid (CHEBI:197078) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
8-oxooctadec-17-en-9,11-diynoic acid
Manual XrefsDatabases
57514446ChemSpider
LMFA01060211LIPID MAPS