9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester (CHEBI:193215)

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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	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester

ChEBI ID	CHEBI:193215

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H32O2

Net Charge

Average Mass

292.463

Monoisotopic Mass

292.24023

InChI

InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-11H,3-5,12-18H2,1-2H3/b7-6+,9-8+,11-10-

InChIKey

KOJYENXGDXRGDK-ZUGARUELSA-N

SMILES

O(C(=O)CCCCCCC/C=C\C=C\C=C\CCCC)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester (CHEBI:193215) is a lipid (CHEBI:18059)

IUPAC Name

methyl (9Z,11E,13E)-octadeca-9,11,13-trienoate

Registry Number	Type	Source
4175-47-7	CAS Registry Number	ChemIDplus