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CHEBI:85661 - 9,10-epoxyoctadecanoic acid

ChEBI IDCHEBI:85661
ChEBI Name9,10-epoxyoctadecanoic acid
Stars
DefinitionAn epoxy fatty acid consisting of octadecanoic (stearic) acid with a single epoxide located between positions 9 and 10.
Last Modified3 January 2019
SubmitterSteve
DownloadsMolfile
FormulaC18H34O3
Net Charge0
Average Mass298.467
Monoisotopic Mass298.25079
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)
InChIKeyIMYZYCNQZDBZBQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (8520208)
Roles Classification
Chemical Role:
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)
9,10-epoxyoctadecanoic acid (CHEBI:85661) has role human metabolite (CHEBI:77746)
9,10-epoxyoctadecanoic acid (CHEBI:85661) is a epoxystearic acid (CHEBI:134617)
9,10-epoxyoctadecanoic acid (CHEBI:85661) is conjugate acid of 9,10-epoxyoctadecanoate (CHEBI:85195)
Incoming Relation(s)
1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) has functional parent 9,10-epoxyoctadecanoic acid (CHEBI:85661)
9,10-epoxy-17-hydroxyoctadecanoic acid (CHEBI:138263) has functional parent 9,10-epoxyoctadecanoic acid (CHEBI:85661)
9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) has functional parent 9,10-epoxyoctadecanoic acid (CHEBI:85661)
cis-9,10-epoxyoctadecanoic acid (CHEBI:82464) is a 9,10-epoxyoctadecanoic acid (CHEBI:85661)
9,10-epoxyoctadecanoate (CHEBI:85195) is conjugate base of 9,10-epoxyoctadecanoic acid (CHEBI:85661)
IUPAC Name 
8-(3-octyloxiran-2-yl)octanoic acid
Synonym  Source
9,10-epoxystearic acidChEBI
Manual XrefsDatabases
LMFA02000326LIPID MAPS
HMDB0061650HMDB
Registry NumbersSources
Reaxys:85929Reaxys
CAS:2443-39-2ChemIDplus
Citations