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

ChEBI IDCHEBI:186941
ChEBI Namemethyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate
Stars
Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O4
Net Charge0
Average Mass324.461
Monoisotopic Mass324.23006
SMILESC/C=C/C(C/C=C\C/C=C\CCCCCCCC(=O)OC)OO
InChIInChI=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+
InChIKeyGSDDTQBCPWWRBN-GWENILSLSA-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 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
Manual XrefsDatabases
LMFA01040039LIPID MAPS
4446001ChemSpider