CHEBI:85661 - 9,10-epoxyoctadecanoic acid

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ChEBI Name 9,10-epoxyoctadecanoic acid ChEBI ID CHEBI:85661 Definition An epoxy fatty acid consisting of octadecanoic (stearic) acid with a single epoxide located between positions 9 and 10. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H34O3 Net Charge 0 Average Mass 298.46080 Monoisotopic Mass 298.25079 InChI InChI=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) InChIKey IMYZYCNQZDBZBQ-UHFFFAOYSA-N SMILES CCCCCCCCC1OC1CCCCCCCC(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 acid ChEBI Manual Xrefs Databases HMDB0061650 HMDB LMFA02000326 LIPID MAPS View more database links Registry Numbers Types Sources 2443-39-2 CAS Registry Number ChemIDplus 85929 Reaxys Registry Number Reaxys Citations Types Sources 19120447 PubMed citation Europe PMC 8520208 PubMed citation Europe PMC Last Modified 03 January 2019

General Comment 2019-01-03 This is material with unspecified stereochemistry.