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CHEBI:188080 - methyl 9-butylperoxy-10,12-octadecadienoate

ChEBI IDCHEBI:188080
ChEBI Namemethyl 9-butylperoxy-10,12-octadecadienoate
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Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42O4
Net Charge0
Average Mass382.585
Monoisotopic Mass382.30831
SMILESCCCCC/C=C/C=C/C(CCCCCCCC(=O)OC)OOC(C)(C)C
InChIInChI=1S/C23H42O4/c1-6-7-8-9-10-12-15-18-21(26-27-23(2,3)4)19-16-13-11-14-17-20-22(24)25-5/h10,12,15,18,21H,6-9,11,13-14,16-17,19-20H2,1-5H3/b12-10+,18-15+
InChIKeyXVZNKFOXXKMPCH-IZAPIVEJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
methyl 9-butylperoxy-10,12-octadecadienoate (CHEBI:188080) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl (10E,12E)-9-tert-butylperoxyoctadeca-10,12-dienoate
Manual XrefsDatabases
4445998ChemSpider
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