methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate (CHEBI:186141)

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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 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate

ChEBI ID	CHEBI:186141

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H32O6

Net Charge

Average Mass

356.459

Monoisotopic Mass

356.21989

InChI

InChI=1S/C19H32O6/c1-3-4-9-13-17(23-21)18-15-16(24-25-18)12-10-7-5-6-8-11-14-19(20)22-2/h4,9-10,12,16-18,21H,3,5-8,11,13-15H2,1-2H3/b9-4-,12-10+

InChIKey

OQTORMRWKPKCSO-XHISVFOESA-N

SMILES

O1OC(CC1C(OO)C/C=C\CC)/C=C/CCCCCCC(OC)=O

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 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate (CHEBI:186141) is a fatty acid methyl ester (CHEBI:4986)

IUPAC Name

methyl (E)-9-[5-[(Z)-1-hydroperoxyhex-3-enyl]dioxolan-3-yl]non-8-enoate