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

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ChEBI Name (9R,10S)-9,10-epoxyoctadecanoate
ChEBI ID CHEBI:137460
ChEBI ASCII Name (9R,10S)-9,10-epoxyoctadecanoate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C18H33O3
Net Charge -1
Average Mass 297.454
Monoisotopic Mass 297.24352
InChI InChI=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
InChIKey IMYZYCNQZDBZBQ-DLBZAZTESA-M
SMILES [C@@H]1(CCCCCCCC(=O)[O-])[C@H](CCCCCCCC)O1
ChEBI Ontology
Outgoing (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 (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
Synonyms Sources
(9R,10S)-9,10-epoxystearate SUBMITTER
(9R,10S)-epoxy-octadecanoate UniProt
Citation Waiting for Citations Type Source
15145985 PubMed citation SUBMITTER
Last Modified
18 August 2017