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 ChemicalBook:CB7347032, eMolecules:592963, ZINC000085480590 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 Last Modified 16 September 2014