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CHEBI:138260 - (9R,10S)-9,10-epoxyoctadecanoic acid

ChEBI IDCHEBI:138260
ChEBI Name(9R,10S)-9,10-epoxyoctadecanoic acid
Stars
ASCII Name(9R,10S)-9,10-epoxyoctadecanoic acid
DefinitionA 9,10-epoxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively.
Last Modified3 January 2019
SubmitterSteve
DownloadsMolfile
FormulaC18H34O3
Net Charge0
Average Mass298.467
Monoisotopic Mass298.25079
SMILESCCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=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)/t16-,17+/m0/s1
InChIKeyIMYZYCNQZDBZBQ-DLBZAZTESA-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:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(9R,10S)-9,10-epoxyoctadecanoic acid (CHEBI:138260) is a cis-9,10-epoxyoctadecanoic acid (CHEBI:82464)
(9R,10S)-9,10-epoxyoctadecanoic acid (CHEBI:138260) is conjugate acid of (9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460)
(9R,10S)-9,10-epoxyoctadecanoic acid (CHEBI:138260) is enantiomer of (9S,10R)-epoxyoctadecanoic acid (CHEBI:138262)
Incoming Relation(s)
(9R,10S)-9,10-epoxyoctadecanoate (CHEBI:137460) is conjugate base of (9R,10S)-9,10-epoxyoctadecanoic acid (CHEBI:138260)
(9S,10R)-epoxyoctadecanoic acid (CHEBI:138262) is enantiomer of (9R,10S)-9,10-epoxyoctadecanoic acid (CHEBI:138260)
IUPAC Name 
8-[(2R,3S)-3-octyloxiran-2-yl]octanoic acid
Synonym  Source
(9R,10S)-9,10-epoxystearic acidChEBI
Citations