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CHEBI:138255 - (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid

ChEBI IDCHEBI:138255
ChEBI Name(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid
Stars
ASCII Name(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid
DefinitionA 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have S- and R-configuration respectively.
Last Modified18 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H34O4
Net Charge0
Average Mass314.466
Monoisotopic Mass314.24571
SMILESO=C(O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO
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)/t16-,17+/m1/s1
InChIKeyITTPZDMHCNGAGQ-SJORKVTESA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255) is a 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255) is conjugate acid of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255) is enantiomer of (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138258)
Incoming Relation(s)
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137458) is conjugate base of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255)
(9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138258) is enantiomer of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255)
IUPAC Name 
8-[(2S,3R)-3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid
Synonyms  Source
18-hydroxy-(9S,10R)-9,10-epoxy-octadecanoic acidChEBI
(9S,10R)-9,10-epoxy-18-hydroxystearic acidChEBI
18-hydroxy-(9S,10R)-9,10-epoxystearic acidChEBI
Registry NumbersSources
Reaxys:25842901Reaxys
Citations