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CHEBI:197269 - methyl 9-hydroperoxy-5,7,11,14,17-eicosapentaenoate

Default Structure
ChEBI IDCHEBI:197269
ChEBI Namemethyl 9-hydroperoxy-5,7,11,14,17-eicosapentaenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCC/C=C\C/C=C\C/C=C\CC(/C=C/C=C\CCCC(=O)OC)OO
InChIInChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-11-14-17-20(25-23)18-15-12-10-13-16-19-21(22)24-2/h4-5,7-8,10-12,14-15,18,20,23H,3,6,9,13,16-17,19H2,1-2H3/b5-4-,8-7-,12-10-,14-11-,18-15+
InChIKeyGDSKYKXCFPEIPI-FPCPCMOOSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
methyl 9-hydroperoxy-5,7,11,14,17-eicosapentaenoate (CHEBI:197269) is a icosanoid (CHEBI:23899)
IUPAC Name 
methyl (5Z,7E,11Z,14Z,17Z)-9-hydroperoxyicosa-5,7,11,14,17-pentaenoate
Manual XrefsDatabases
4446320ChemSpider
LMFA03070016LIPID MAPS