CHEBI:82946 - n-butyl oleate

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ChEBI Name n-butyl oleate ChEBI ID CHEBI:82946 ChEBI ASCII Name n-butyl oleate Definition A fatty acid ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of oleic acid. 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 C22H42O2 Net Charge 0 Average Mass 338.56770 Monoisotopic Mass 338.31848 InChI InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12- InChIKey WIBFFTLQMKKBLZ-SEYXRHQNSA-N SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification 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 n-butyl oleate (CHEBI:82946) has functional parent butan-1-ol (CHEBI:28885) n-butyl oleate (CHEBI:82946) has functional parent oleic acid (CHEBI:16196) n-butyl oleate (CHEBI:82946) has role human metabolite (CHEBI:77746) n-butyl oleate (CHEBI:82946) is a fatty acid ester (CHEBI:35748) IUPAC Name butyl (9Z)-octadec-9-enoate Synonyms Sources 1-butyl oleate ChemIDplus butyl 9-octadecenoate ChemIDplus butyl oleate ChemIDplus Oleic acid, butyl ester NIST Chemistry WebBook Registry Numbers Types Sources 142-77-8 CAS Registry Number NIST Chemistry WebBook 142-77-8 CAS Registry Number ChemIDplus 1728057 Reaxys Registry Number Reaxys Citations Types Sources IND91014484 Agricola citation Europe PMC IND93054928 Agricola citation Europe PMC Last Modified 16 September 2014