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ChEBI
> Main
CHEBI:46898 - cholesteryl oleate
Main
ChEBI Ontology
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ChEBI Name
cholesteryl oleate
ChEBI ID
CHEBI:46898
Definition
The (
Z
)-stereoisomer of cholesteryl octadec-9-enoate.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:34634, CHEBI:39859
Supplier Information
Download
Molfile
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Molfile
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Formula
C45H78O2
Net Charge
0
Average Mass
651.09962
Monoisotopic Mass
650.60018
InChI
InChI=1S/C45H78O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21-
25-
43(46)
47-
38-
30-
32-
44(5)
37(34-
38)
26-
27-
39-
41-
29-
28-
40(36(4)
24-
22-
23-
35(2)
3)
45(41,6)
33-
31-
42(39)
44/h14-
15,26,35-
36,38-
42H,7-
13,16-
25,27-
34H2,1-
6H3/b15-
14-
/t36-
,38+,39+,40-
,41+,42+,44+,45-
/m1/s1
InChIKey
RJECHNNFRHZQKU-RMUVNZEASA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
CC=C4C[C@H]
(CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
OC(=O)
CCCCCCC\C=C/CCCCCCCC)
[C@H]
(C)
CCCC(C)
C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
See:
DOI
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 oleate (
CHEBI:46898
)
has functional parent
oleic acid (
CHEBI:16196
)
cholesteryl oleate (
CHEBI:46898
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl oleate (
CHEBI:46898
)
is a
CE(18:1) (
CHEBI:183800
)
cholesteryl oleate (
CHEBI:46898
)
is a
cholesteryl octadec-9-enoate (
CHEBI:46900
)
IUPAC Name
(3β)-cholest-5-en-3-yl (9
Z
)-octadec-9-enoate
Synonyms
Sources
(3β)-cholest-5-en-3-ol, (
Z
)-9-octadecenoate
NIST Chemistry WebBook
18:1 Cholesteryl ester
LIPID MAPS
CE(18:1(9Z))
LIPID MAPS
CE(18:1)
LIPID MAPS
Cholest-5-en-3-beta-yl oleate
KEGG COMPOUND
cholest-5-en-3-yl (9
Z
)-9-octadecenoate
NIST Chemistry WebBook
cholesteryl (9
Z
-octadecenoate)
UniProt
Cholesteryl cis-9-octadecenoate
KEGG COMPOUND
cholesteryl
cis
-9-octadecenoate
ChemIDplus
CHOLESTERYL OLEATE
PDBeChem
Cholesteryl oleate
KEGG COMPOUND
oleoylcholesterol
ChemIDplus
Manual Xrefs
Databases
2OB
PDBeChem
C14641
KEGG COMPOUND
LMST01020003
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2343071
Reaxys Registry Number
Reaxys
303-43-5
CAS Registry Number
KEGG COMPOUND
303-43-5
CAS Registry Number
ChemIDplus
303-43-5
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
25188363
PubMed citation
Europe PMC
25528432
PubMed citation
Europe PMC
Last Modified
15 November 2021