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CHEBI:173157 - Isanolic acid

ChEBI IDCHEBI:173157
ChEBI NameIsanolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILESC=CCCCCC#CC#CC(O)CCCCCCC(=O)O
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)
InChIKeyKWLVIGJGNBJKPA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Isanolic acid (CHEBI:173157) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
8-hydroxyoctadec-17-en-9,11-diynoic acid
Manual XrefsDatabases
4472265ChemSpider
LMFA01050291LIPID MAPS