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

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ChEBI Name 12(S)-HPE(5,8,10)TrE(1−)
ChEBI ID CHEBI:78046
ChEBI ASCII Name 12(S)-HPE(5,8,10)TrE(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
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Formula C20H33O4
Net Charge -1
Average Mass 337.47420
Monoisotopic Mass 337.23843
InChI InChI=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
InChIKey ZLHPNDMOGUYMCS-JSHAMEQDSA-M
SMILES CCCCCCCC[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
(12S)-hydroperoxy-(5Z,8Z,10E)-eicosatrienoate UniProt
(5Z,8Z,10E,12S)-hydroperoxyicosatrienoate(1−) SUBMITTER
Last Modified
06 April 2022