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CHEBI:137460 - (9R,10S)-9,10-epoxyoctadecanoate

ChEBI IDCHEBI:137460
ChEBI Name(9R,10S)-9,10-epoxyoctadecanoate
Stars
ASCII Name(9R,10S)-9,10-epoxyoctadecanoate
DefinitionA 9,10-epoxyoctadecanoate that is the conjugate base of (9R,10S)-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified18 August 2017
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+/m0/s1
InChIKeyIMYZYCNQZDBZBQ-DLBZAZTESA-M
ChEBI Ontology
Outgoing Relation(s)
(9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460) is a 9,10-epoxyoctadecanoate (CHEBI:85195)
(9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460) is conjugate base of (9R,10S)-9,10-epoxyoctadecanoic acid (CHEBI:138260)
(9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460) is enantiomer of (9S,10R)-epoxyoctadecanoate (CHEBI:137461)
Incoming Relation(s)
(9R,10S)-9,10-epoxyoctadecanoic acid (CHEBI:138260) is conjugate acid of (9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460)
(9S,10R)-epoxyoctadecanoate (CHEBI:137461) is enantiomer of (9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460)
IUPAC Name 
8-[(2R,3S)-3-octyloxiran-2-yl]octanoate
Synonym  Source
(9R,10S)-9,10-epoxystearateSUBMITTER
UniProt Name  Source
(9R,10S)-epoxy-octadecanoateUniProt
Citations