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CHEBI:63238 - (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

ChEBI IDCHEBI:63238
ChEBI Name(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Stars
ASCII Name(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
DefinitionA lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (10E,12Z,15Z)-octadeca-10,12,15-trienoic acid by a hydroperoxy group.
Last Modified13 April 2018
SubmitterGareth Owen
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-CUHSZNQNSA-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)
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238) is conjugate acid of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239)
Incoming Relation(s)
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237) is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238)
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961) is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238)
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239) is conjugate base of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238)
IUPAC Name 
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Registry NumbersSources
Reaxys:15426607Reaxys