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CHEBI:137362 - 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate

ChEBI IDCHEBI:137362
ChEBI Name11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate
Stars
ASCII Name11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate
DefinitionAn epoxy(hydroxy)icosatrienoate that is the conjugate base of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified10 August 2017
Submitternhn
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
SMILESCCCCC[C@@H]1O[C@@H]1/C=C/C(O)C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/p-1/b6-4-,10-7-,16-15+/t17?,18-,19+/m0/s1
InChIKeyWLMZMBKVRPUYIG-OSPXAYQASA-M
ChEBI Ontology
Outgoing Relation(s)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate (CHEBI:137362) is a epoxy(hydroxy)icosatrienoate (CHEBI:137328)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate (CHEBI:137362) is conjugate base of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid (CHEBI:138149)
Incoming Relation(s)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid (CHEBI:138149) is conjugate acid of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate (CHEBI:137362)
IUPAC Name 
(5Z,8Z,12E)-11-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoate
Synonym  Source
11-H-14,15-EETA(1−)ChEBI
UniProt Name  Source
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-eicosatrienoateUniProt
Citations