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CHEBI:78046 - 12(S)-HPE(5,8,10)TrE(1−)

ChEBI IDCHEBI:78046
ChEBI Name12(S)-HPE(5,8,10)TrE(1−)
Stars
ASCII Name12(S)-HPE(5,8,10)TrE(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(5,8,10)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 April 2022
Submitterlaimo
DownloadsMolfile
FormulaC20H33O4
Net Charge-1
Average Mass337.480
Monoisotopic Mass337.23843
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)/p-1/b9-7-,11-8-,17-14+/t19-/m0/s1
InChIKeyZLHPNDMOGUYMCS-JSHAMEQDSA-M
ChEBI Ontology
Outgoing Relation(s)
12(S)-HPE(5,8,10)TrE(1−) (CHEBI:78046) has functional parent (5Z,8Z,11Z)-icosatrienoate (CHEBI:78043)
12(S)-HPE(5,8,10)TrE(1−) (CHEBI:78046) is a hydroperoxyicosatrienoate (CHEBI:131875)
12(S)-HPE(5,8,10)TrE(1−) (CHEBI:78046) is conjugate base of 12(S)-HPE(5,8,10)TrE (CHEBI:78859)
Incoming Relation(s)
12(S)-HPE(5,8,10)TrE (CHEBI:78859) is conjugate acid of 12(S)-HPE(5,8,10)TrE(1−) (CHEBI:78046)
IUPAC Name 
(5Z,8Z,10E,12S)-12-hydroperoxyicosa-5,8,10-trienoate
Synonym  Source
(5Z,8Z,10E,12S)-hydroperoxyicosatrienoate(1−)SUBMITTER
UniProt Name  Source
(12S)-hydroperoxy-(5Z,8Z,10E)-eicosatrienoateUniProt