(E,E)-11,13-Octadecadien-9-ynoic acid (CHEBI:171733)

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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	(E,E)-11,13-Octadecadien-9-ynoic acid

ChEBI ID	CHEBI:171733

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H28O2

Net Charge

Average Mass

276.420

Monoisotopic Mass

276.20893

InChI

InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-

InChIKey

ONYHYSLZNLJFHX-MDAAKZFYSA-N

SMILES

OC(=O)CCCCCCCC#C/C=C\C=C\CCCC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] 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	(E,E)-11,13-Octadecadien-9-ynoic acid (CHEBI:171733) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(11Z,13E)-octadeca-11,13-dien-9-ynoic acid