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CHEBI:132065 - (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate

ChEBI IDCHEBI:132065
ChEBI Name(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate
Stars
ASCII Name(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid, 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@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])OO
InChIInChI=1S/C20H32O5/c1-2-3-10-14-18-19(24-18)16-17(25-23)13-11-8-6-4-5-7-9-12-15-20(21)22/h5-8,11,13,17-19,23H,2-4,9-10,12,14-16H2,1H3,(H,21,22)/p-1/b7-5-,8-6-,13-11+/t17-,18-,19+/m1/s1
InChIKeyFRAUAYJDJWCREF-FEXRMQIKSA-M
ChEBI Ontology
Outgoing Relation(s)
(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate (CHEBI:132065) is a hydroperoxy(epoxy)icosatrienoate (CHEBI:133652)
(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate (CHEBI:132065) is conjugate base of (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid (CHEBI:132681)
Incoming Relation(s)
(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid (CHEBI:132681) is conjugate acid of (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate (CHEBI:132065)
IUPAC Name 
(5Z,8Z,10E,12S)-12-hydroperoxy-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,10-trienoate
Synonym  Source
(12S)-hydroperoxy-(14S,15R)-EET(1−)ChEBI
UniProt Name  Source
(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-eicosatrienoateUniProt
Citations