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CHEBI:165790 - 2R-HpOTrE

ChEBI IDCHEBI:165790
ChEBI Name2R-HpOTrE
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Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCC/C=C\C/C(O)=C\C/C=C\CCCCCC[C@@H](OO)C(=O)O
InChIInChI=1S/C18H30O5/c1-2-3-10-13-16(19)14-11-8-6-4-5-7-9-12-15-17(23-22)18(20)21/h3,6,8,10,14,17,19,22H,2,4-5,7,9,11-13,15H2,1H3,(H,20,21)/b8-6-,10-3-,16-14+/t17-/m1/s1
InChIKeyJFASLUAXMZUDIC-HWVTWIRUSA-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)
2R-HpOTrE (CHEBI:165790) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
2R-HpOTrE (CHEBI:165790) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(2R,9Z,12E,15Z)-2-hydroperoxy-13-hydroxyoctadeca-9,12,15-trienoic acid
Manual XrefsDatabases
17220740ChemSpider
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