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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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 (9
Z
)-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