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CHEBI:137458 - (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate

ChEBI IDCHEBI:137458
ChEBI Name(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate
Stars
ASCII Name(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate
DefinitionA 9,10-epoxy-18-hydroxyoctadecanoate that is the conjugate base of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified18 August 2017
Submitternhn
DownloadsMolfile
FormulaC18H33O4
Net Charge-1
Average Mass313.458
Monoisotopic Mass313.23843
SMILESO=C([O-])CCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO
InChIInChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/p-1/t16-,17+/m1/s1
InChIKeyITTPZDMHCNGAGQ-SJORKVTESA-M
ChEBI Ontology
Outgoing Relation(s)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458) is a 9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458) is conjugate base of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458) is enantiomer of (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137459)
Incoming Relation(s)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255) is conjugate acid of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458)
(9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137459) is enantiomer of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458)
IUPAC Name 
8-[(2S,3R)-3-(8-hydroxyoctyl)oxiran-2-yl]octanoate
Synonyms  Source
18-hydroxy-(9S,10R)-9,10-epoxystearateSUBMITTER
(9S,10R)-9,10-epoxy-18-hydroxystearateChEBI
UniProt Name  Source
18-hydroxy-(9S,10R)-epoxy-octadecanoateUniProt
Citations