methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate (CHEBI:186941)

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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	methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate

ChEBI ID	CHEBI:186941

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H32O4

Net Charge

Average Mass

324.461

Monoisotopic Mass

324.23006

InChI

InChI=1S/C19H32O4/c1-3-15-18(23-21)16-13-11-9-7-5-4-6-8-10-12-14-17-19(20)22-2/h3,5,7,11,13,15,18,21H,4,6,8-10,12,14,16-17H2,1-2H3/b7-5-,13-11-,15-3+

InChIKey

GSDDTQBCPWWRBN-GWENILSLSA-N

SMILES

O(C(=O)CCCCCCC/C=C\C/C=C\CC(OO)/C=C/C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate (CHEBI:186941) is a fatty acid methyl ester (CHEBI:4986) methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate (CHEBI:186941) is a hydroperoxy fatty ester (CHEBI:145037)

IUPAC Name

methyl (9Z,12Z,16E)-15-hydroperoxyoctadeca-9,12,16-trienoate

Last Modified

24 January 2023