EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137457 - 9,10-epoxy-18-hydroxyoctadecanoate

ChEBI IDCHEBI:137457
ChEBI Name9,10-epoxy-18-hydroxyoctadecanoate
Stars
DefinitionAn ω-hydroxy fatty acid anion that is the conjugate base of 18-hydroxy-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified23 January 2023
Submitternhn
DownloadsMolfile
FormulaC18H33O4
Net Charge-1
Average Mass313.458
Monoisotopic Mass313.23843
SMILESO=C([O-])CCCCCCCC1OC1CCCCCCCCO
InChIInChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/p-1
InChIKeyITTPZDMHCNGAGQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) has functional parent octadecanoate (CHEBI:25629)
9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) is a epoxy fatty acid anion (CHEBI:190711)
9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) is a ω-hydroxy-long-chain fatty acid anion (CHEBI:140992)
9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) is conjugate base of 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381)
Incoming Relation(s)
(9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137459) is a 9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458) is a 9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457)
9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) is conjugate acid of 9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457)
IUPAC Name 
8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoate
Synonyms  Source
18-hydroxy-9,10-epoxystearateSUBMITTER
18,9(10)-HEpSTA(1−)SUBMITTER
UniProt Name  Source
18-hydroxy-9,10-epoxy-octadecanoateUniProt
Citations