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CHEBI:165781 - E,E-13-HpODE

ChEBI IDCHEBI:165781
ChEBI NameE,E-13-HpODE
Stars
Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCCC(/C=C/C=C/CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7+,15-12+
InChIKeyJDSRHVWSAMTSSN-KDFHGORWSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
E,E-13-HpODE (CHEBI:165781) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
E,E-13-HpODE (CHEBI:165781) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
Manual XrefsDatabases
4510035ChemSpider
LMFA02000099LIPID MAPS
Registry NumbersSources
CAS:7324-21-2ChemIDplus