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
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:txidtxid9606) 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 Waiting for Citations Types Sources
IND91014484 Agricola citation Europe PMC
IND93054928 Agricola citation Europe PMC
Last Modified
16 September 2014