CHEBI:178474 - methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate

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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 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate
ChEBI ID CHEBI:178474
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H34O8
Net Charge 0
Average Mass 414.495
Monoisotopic Mass 414.22537
InChI InChI=1S/C21H34O8/c1-3-4-7-11-17(26-23)12-8-5-6-9-13-18-16-20(29-28-18)19(27-24)14-10-15-21(22)25-2/h5-6,8-9,12-13,17-20,23-24H,3-4,7,10-11,14-16H2,1-2H3/b6-5+,12-8+,13-9+
InChIKey AWZPWRYFAAHRSV-NABOWOGOSA-N
SMILES O1OC(CC1C(OO)CCCC(OC)=O)/C=C/C=C/C=C/C(OO)CCCCC
ChEBI Ontology
Outgoing methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate (CHEBI:178474) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl 5-hydroperoxy-5-[5-[(1E,3E,5E)-7-hydroperoxydodeca-1,3,5-trienyl]dioxolan-3-yl]pentanoate
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4446275 ChemSpider
LMFA03050014 LIPID MAPS
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