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

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ChEBI Name (9S,10R)-epoxyoctadecanoate ChEBI ID CHEBI:137461 ChEBI ASCII Name (9S,10R)-epoxyoctadecanoate Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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+/m1/s1 InChIKey IMYZYCNQZDBZBQ-SJORKVTESA-M SMILES [C@H]1(CCCCCCCC(=O)[O-])[C@@H](CCCCCCCC)O1 ChEBI Ontology Outgoing (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 (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 Sources (9S,10R)-epoxy-octadecanoate UniProt (9S,10R)-epoxystearate SUBMITTER cis-9,10-epoxyoctadecanoate Note: (2019-01-04) Used in the literature but not recommended as this term could apply to the enantiomer or mixture of the two. ChEBI Citation Type Source 15145985 PubMed citation SUBMITTER Last Modified 04 January 2019