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CHEBI:137461 - (9S,10R)-epoxyoctadecanoate

ChEBI IDCHEBI:137461
ChEBI Name(9S,10R)-epoxyoctadecanoate
Stars
ASCII Name(9S,10R)-epoxyoctadecanoate
DefinitionA 9,10-epoxyoctadecanoate that is the conjugate base of (9S,10R)-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified4 January 2019
Submitternhn
DownloadsMolfile
FormulaC18H33O3
Net Charge-1
Average Mass297.459
Monoisotopic Mass297.24352
SMILESCCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/p-1/t16-,17+/m1/s1
InChIKeyIMYZYCNQZDBZBQ-SJORKVTESA-M
ChEBI Ontology
Outgoing Relation(s)
(9S,10R)-epoxyoctadecanoate (CHEBI:137461) is a 9,10-epoxyoctadecanoate (CHEBI:85195)
(9S,10R)-epoxyoctadecanoate (CHEBI:137461) is conjugate base of (9S,10R)-epoxyoctadecanoic acid (CHEBI:138262)
(9S,10R)-epoxyoctadecanoate (CHEBI:137461) is enantiomer of (9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460)
Incoming Relation(s)
(9S,10R)-epoxyoctadecanoic acid (CHEBI:138262) is conjugate acid of (9S,10R)-epoxyoctadecanoate (CHEBI:137461)
(9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460) is enantiomer of (9S,10R)-epoxyoctadecanoate (CHEBI:137461)
IUPAC Name 
8-[(2S,3R)-3-octyloxiran-2-yl]octanoate
Synonyms  Source
(9S,10R)-epoxystearateSUBMITTER
cis-9,10-epoxyoctadecanoateChEBI
UniProt Name  Source
(9S,10R)-epoxy-octadecanoateUniProt
Citations