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CHEBI:85195 - 9,10-epoxyoctadecanoate

Default Structure
ChEBI IDCHEBI:85195
ChEBI Name9,10-epoxyoctadecanoate
Stars
DefinitionAn epoxystearate resulting from the deprotonation of the carboxy group of 9,10-epoxyoctadecanoic acid (i.e. conjugate base of 9,10-epoxyoctadecanoic acid); the major species at pH 7.3.
Last Modified8 March 2017
Submitternhn
DownloadsMolfile
FormulaC18H33O3
Net Charge-1
Average Mass297.459
Monoisotopic Mass297.24352
SMILESCCCCCCCCC1OC1CCCCCCCC(=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
InChIKeyIMYZYCNQZDBZBQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
9,10-epoxyoctadecanoate (CHEBI:85195) has functional parent 1-palmitoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine(1−) (CHEBI:143092)
9,10-epoxyoctadecanoate (CHEBI:85195) has functional parent 1-stearoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phospho-L-serine(1−) (CHEBI:143087)
9,10-epoxyoctadecanoate (CHEBI:85195) is a epoxyoctadecanoate (CHEBI:133585)
9,10-epoxyoctadecanoate (CHEBI:85195) is conjugate base of 9,10-epoxyoctadecanoic acid (CHEBI:85661)
Incoming Relation(s)
9,10-epoxy-17-hydroxyoctadecanoate (CHEBI:137465) has functional parent 9,10-epoxyoctadecanoate (CHEBI:85195)
(9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460) is a 9,10-epoxyoctadecanoate (CHEBI:85195)
(9S,10R)-epoxyoctadecanoate (CHEBI:137461) is a 9,10-epoxyoctadecanoate (CHEBI:85195)
9,10-epoxyoctadecanoic acid (CHEBI:85661) is conjugate acid of 9,10-epoxyoctadecanoate (CHEBI:85195)
IUPAC Name 
8-(3-octyloxiran-2-yl)octanoate
Synonym  Source
9,10-epoxystearateChEBI
UniProt Name  Source
9,10-epoxyoctadecanoateUniProt
Citations