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CHEBI:78859 - 12(S)-HPE(5,8,10)TrE

ChEBI IDCHEBI:78859
ChEBI Name12(S)-HPE(5,8,10)TrE
Stars
ASCII Name12(S)-HPE(5,8,10)TrE
DefinitionA hydroperoxy fatty acid that is (5Z,8Z,10E)-icosatrienoic acid in which the hydroperoxy group is located at the 12(S)-position.
Last Modified6 April 2022
SubmitterSteve
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILESCCCCCCCC[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H34O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-9,11,14,17,19,23H,2-6,10,12-13,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,17-14+/t19-/m0/s1
InChIKeyZLHPNDMOGUYMCS-JSHAMEQDSA-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)
12(S)-HPE(5,8,10)TrE (CHEBI:78859) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
12(S)-HPE(5,8,10)TrE (CHEBI:78859) is a hydroperoxyicosatrienoic acid (CHEBI:136627)
12(S)-HPE(5,8,10)TrE (CHEBI:78859) is conjugate acid of 12(S)-HPE(5,8,10)TrE(1−) (CHEBI:78046)
Incoming Relation(s)
12(S)-HPE(5,8,10)TrE(1−) (CHEBI:78046) is conjugate base of 12(S)-HPE(5,8,10)TrE (CHEBI:78859)
IUPAC Name 
(5Z,8Z,10E,12S)-12-hydroperoxyicosa-5,8,10-trienoic acid
Synonyms  Source
(5Z,8Z,10E,12S)-hydroperoxyicosatrienoic acidChEBI
(5Z,8Z,10E,12S)-hydroperoxyeicosatrienoic acidChEBI