Bolekolic acid (CHEBI:187244)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Bolekolic acid

ChEBI ID	CHEBI:187244

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H26O3

Net Charge

Average Mass

290.403

Monoisotopic Mass

290.18819

InChI

InChI=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+

InChIKey

BFYLXOBBDBQUMB-AATRIKPKSA-N

SMILES

OC(CCCCCCC(O)=O)C#CC#C\C=C\CCCC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Bolekolic acid (CHEBI:187244) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E)-8-hydroxyoctadec-13-en-9,11-diynoic acid