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ChEBI
> Main
CHEBI:84352 - cholesteryl behenate
Main
ChEBI Ontology
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ChEBI Name
cholesteryl behenate
ChEBI ID
CHEBI:84352
Definition
A cholesterol ester obtained by the formal condensation of cholesterol with behenic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C49H88O2
Net Charge
0
Average Mass
709.22180
Monoisotopic Mass
708.67843
InChI
InChI=1S/C49H88O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21-
22-
23-
24-
25-
29-
47(50)
51-
42-
34-
36-
48(5)
41(38-
42)
30-
31-
43-
45-
33-
32-
44(40(4)
28-
26-
27-
39(2)
3)
49(45,6)
37-
35-
46(43)
48/h30,39-
40,42-
46H,7-
29,31-
38H2,1-
6H3/t40-
,42+,43+,44-
,45+,46+,48+,49-
/m1/s1
InChIKey
WBOQXYUYHINMOC-FTAWAYKBSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)
O[C@H]
1CC[C@]
2(C)
[C@H]
3CC[C@]
4(C)
[C@H]
(CC[C@H]
4[C@@H]
3CC=C2C1)
[C@H]
(C)
CCCC(C)
C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholesteryl behenate (
CHEBI:84352
)
has functional parent
docosanoic acid (
CHEBI:28941
)
cholesteryl behenate (
CHEBI:84352
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl behenate (
CHEBI:84352
)
is a
cholesteryl ester (
CHEBI:17002
)
IUPAC Name
(3β)-cholest-5-en-3-yl docosanoate
Synonyms
Sources
22:0 Cholesteryl ester
LIPID MAPS
CE(22:0)
LIPID MAPS
cholesteryl docosanoate
ChEBI
Manual Xref
Database
LMST01020016
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2318876
Reaxys Registry Number
Reaxys
61510-09-6
CAS Registry Number
ChemIDplus
Last Modified
23 October 2015