13-octadecynoic acid (CHEBI:187028)

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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	13-octadecynoic acid

ChEBI ID	CHEBI:187028

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H32O2

Net Charge

Average Mass

280.452

Monoisotopic Mass

280.24023

InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4,7-17H2,1H3,(H,19,20)

InChIKey

MGIJBVDAWHPXLV-UHFFFAOYSA-N

SMILES

OC(=O)CCCCCCCCCCCC#CCCCC

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	13-octadecynoic acid (CHEBI:187028) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

octadec-13-ynoic acid