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CHEBI:137324 - 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1−)

ChEBI IDCHEBI:137324
ChEBI Name13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1−)
Stars
ASCII Name13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1-)
DefinitionA 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate that is the conjugate base of 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-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]1C(O)/C=C\C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/p-1/b7-5-,8-6-,14-12-/t17?,18-,20+/m0/s1
InChIKeyFMRVHRPEVIVXKX-XHTADQAHSA-M
ChEBI Ontology
Outgoing Relation(s)
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1−) (CHEBI:137324) is a 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate (CHEBI:137342)
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1−) (CHEBI:137324) is conjugate base of 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138136)
Incoming Relation(s)
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138136) is conjugate acid of 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1−) (CHEBI:137324)
IUPAC Name 
(5Z,8Z,11Z)-13-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoate
UniProt Name  Source
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-eicosatrienoateUniProt
Citations