12-Oxo-9-octadecynoic acid (CHEBI:165796)

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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	12-Oxo-9-octadecynoic acid

ChEBI ID	CHEBI:165796

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H30O3

Net Charge

Average Mass

294.435

Monoisotopic Mass

294.21949

InChI

InChI=1S/C18H30O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h2-8,10-11,13-16H2,1H3,(H,20,21)

InChIKey

OWWCANRSILCUCQ-UHFFFAOYSA-N

SMILES

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

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	12-Oxo-9-octadecynoic acid (CHEBI:165796) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

12-oxooctadec-9-ynoic acid