(E,13S)-13-hydroxyoctadec-11-en-9-ynoic acid (CHEBI:218210)

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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,13S)-13-hydroxyoctadec-11-en-9-ynoic acid

ChEBI ID	CHEBI:218210

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/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1

InChIKey

FYPCNVCBWHQKJO-VMEIHUARSA-N

SMILES

O=C(O)CCCCCCCC#C/C=C/[C@@H](O)CCCCC

Metabolite of Species	Details
Pseudanabaenaspecies (NCBI:txid1153)	See: PubMed

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,13S)-13-hydroxyoctadec-11-en-9-ynoic acid (CHEBI:218210) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E,13S)-13-hydroxyoctadec-11-en-9-ynoic acid