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CHEBI:187244 - Bolekolic acid

ChEBI IDCHEBI:187244
ChEBI NameBolekolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILESCCCC/C=C/C#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/h5-6,17,19H,2-4,9-10,12-13,15-16H2,1H3,(H,20,21)/b6-5+
InChIKeyBFYLXOBBDBQUMB-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Bolekolic acid (CHEBI:187244) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-8-hydroxyoctadec-13-en-9,11-diynoic acid
Manual XrefsDatabases
113368198ChemSpider
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