EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:186141
ChEBI Namemethyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O6
Net Charge0
Average Mass356.459
Monoisotopic Mass356.21989
SMILESCC/C=C\CC(OO)C1CC(/C=C/CCCCCCC(=O)OC)OO1
InChIInChI=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+
InChIKeyOQTORMRWKPKCSO-XHISVFOESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
4446004ChemSpider
LMFA01040042LIPID MAPS