8-oxo-9,11-octadecadiynoic acid (CHEBI:192956)

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CHEBI:192956 - 8-oxo-9,11-octadecadiynoic acid

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ChEBI ID	CHEBI:192956
ChEBI Name	8-oxo-9,11-octadecadiynoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O3
Net Charge	0
Average Mass	290.403
Monoisotopic Mass	290.18819
SMILES	CCCCCCC#CC#CC(=O)CCCCCCC(=O)O
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/h2-6,9-10,12-13,15-16H2,1H3,(H,20,21)
InChIKey	MNEYSZJSCYXZQM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Cryptomeria (ncbitaxon:3368)	needle (BTO:0000917)	MetaboLights (MTBLS3183)	Strain: Cryptomeria fortunei Hooibrenk

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	8-oxo-9,11-octadecadiynoic acid (CHEBI:192956) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
8-oxooctadeca-9,11-diynoic acid

Manual Xrefs	Databases
4472367	ChemSpider
LMFA01060163	LIPID MAPS