8-Oxo-10,12-octadecadiynoic acid (CHEBI:187750)

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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	8-Oxo-10,12-octadecadiynoic acid

ChEBI ID	CHEBI:187750

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/h2-5,9-10,12-16H2,1H3,(H,20,21)

InChIKey

ROWUUKHITMKKTC-UHFFFAOYSA-N

SMILES

O=C(CCCCCCC(O)=O)CC#CC#CCCCCC

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	8-Oxo-10,12-octadecadiynoic acid (CHEBI:187750) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

8-oxooctadeca-10,12-diynoic acid