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CHEBI:165788 - 13S-HpOTrE(gamma)

ChEBI IDCHEBI:165788
ChEBI Name13S-HpOTrE(gamma)
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Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCCCCCC(/C=C/C=C\C/C=C\CCCCC(=O)O)OO
InChIInChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h4,6-7,9,12,15,17,21H,2-3,5,8,10-11,13-14,16H2,1H3,(H,19,20)/b6-4-,9-7-,15-12+
InChIKeyLYFGXCQTRBQQMX-YSHIPJNPSA-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)
13S-HpOTrE(gamma) (CHEBI:165788) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
13S-HpOTrE(gamma) (CHEBI:165788) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(6Z,9Z,11E)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
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