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CHEBI:132068 - (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate

ChEBI IDCHEBI:132068
ChEBI Name(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate
Stars
ASCII Name(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified21 February 2017
Submitternhn
DownloadsMolfile
FormulaC20H31O5
Net Charge-1
Average Mass351.463
Monoisotopic Mass351.21770
SMILESCCCCC[C@H]1O[C@H]1C/C=C\C=C\[C@H](C/C=C\CCCC(=O)[O-])OO
InChIInChI=1S/C20H32O5/c1-2-3-7-14-18-19(24-18)15-10-6-9-13-17(25-23)12-8-4-5-11-16-20(21)22/h4,6,8-10,13,17-19,23H,2-3,5,7,11-12,14-16H2,1H3,(H,21,22)/p-1/b8-4-,10-6-,13-9+/t17-,18+,19-/m0/s1
InChIKeyLUBTVGBPYONJJZ-ZYWZSPIWSA-M
ChEBI Ontology
Outgoing Relation(s)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate (CHEBI:132068) is a hydroperoxy(epoxy)icosatrienoate (CHEBI:133652)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate (CHEBI:132068) is conjugate base of (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid (CHEBI:132808)
Incoming Relation(s)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid (CHEBI:132808) is conjugate acid of (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate (CHEBI:132068)
IUPAC Name 
(5Z,8S,9E,11Z)-8-hydroperoxy-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,9,11-trienoate
Synonym  Source
(8S)-hydroperoxy-(14S,15R)-EET(1−)ChEBI
UniProt Name  Source
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-eicosatrienoateUniProt
Citations