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CHEBI:165791 - 9-HpOTrE

ChEBI IDCHEBI:165791
ChEBI Name9-HpOTrE
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Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCC/C=C\C/C=C/C=C/C(CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6+,14-11+
InChIKeyRWKJTIHNYSIIHW-UNAQAUQESA-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)
9-HpOTrE (CHEBI:165791) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
9-HpOTrE (CHEBI:165791) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(10E,12E,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
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4445991ChemSpider
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