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CHEBI:165782 - E,E-9-HpODE

ChEBI IDCHEBI:165782
ChEBI NameE,E-9-HpODE
Stars
Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC/C=C/C=C/C(CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6+,14-11+
InChIKeyJGUNZIWGNMQSBM-SIGMCMEVSA-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-9-HpODE (CHEBI:165782) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
E,E-9-HpODE (CHEBI:165782) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(10E,12E)-9-hydroperoxyoctadeca-10,12-dienoic acid
Manual XrefsDatabases
4445983ChemSpider
LMFA02000100LIPID MAPS
Registry NumbersSources
CAS:63121-49-3ChemIDplus