9,10-epoxy-11,13-docosadiynoic acid (CHEBI:187321)

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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	9,10-epoxy-11,13-docosadiynoic acid

ChEBI ID	CHEBI:187321

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H34O3

Net Charge

Average Mass

346.511

Monoisotopic Mass

346.25079

InChI

InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-11-14-17-20-21(25-20)18-15-12-10-13-16-19-22(23)24/h20-21H,2-8,10,12-13,15-16,18-19H2,1H3,(H,23,24)

InChIKey

RRAFKGMABGTGAF-UHFFFAOYSA-N

SMILES

O1C(C1C#CC#CCCCCCCCC)CCCCCCCC(O)=O

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	9,10-epoxy-11,13-docosadiynoic acid (CHEBI:187321) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

8-(3-dodeca-1,3-diynyloxiran-2-yl)octanoic acid