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ChEBI
> Main
CHEBI:82750 - cholesteryl stearate
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ChEBI Name
cholesteryl stearate
ChEBI ID
CHEBI:82750
Definition
A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
AnneNiknejad
Supplier Information
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Formula
C45H80O2
Net Charge
0
Average Mass
653.11550
Monoisotopic Mass
652.61583
InChI
InChI=1S/C45H80O2/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/h26,35-
36,38-
42H,7-
25,27-
34H2,1-
6H3/t36-
,38+,39+,40-
,41+,42+,44+,45-
/m1/s1
InChIKey
XHRPOTDGOASDJS-XNTGVSEISA-N
SMILES
CCCCCCCCCCCCCCCCCC(=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 stearate (
CHEBI:82750
)
has functional parent
octadecanoic acid (
CHEBI:28842
)
cholesteryl stearate (
CHEBI:82750
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl stearate (
CHEBI:82750
)
is a
cholesteryl ester (
CHEBI:17002
)
IUPAC Name
(3β)-cholest-5-en-3-yl octadecanoate
Synonyms
Sources
18:0 Cholesteryl ester
LIPID MAPS
3β-octadecanoyloxycholest-5-ene
NIST Chemistry WebBook
CE(18:0)
LIPID MAPS
Cholest-5-en-3-beta-yl octadecanoate
SUBMITTER
Cholest-5-en-3-beta-yl stearate
ChemIDplus
cholest-5-en-3β-yl octadecanoate
LIPID MAPS
cholest-5-en-3β-yl stearate
NIST Chemistry WebBook
cholesterol stearate
SUBMITTER
Cholesterol stearate
ChemIDplus
cholesteryl octadecanoate
UniProt
Cholesteryl octadecanoate
ChemIDplus
Cholestryl stearate
NIST Chemistry WebBook
Manual Xrefs
Databases
LMST01020007
LIPID MAPS
NZ585870
Patent
View more database links
Registry Numbers
Types
Sources
2068492
Reaxys Registry Number
Reaxys
35602-69-8
CAS Registry Number
ChemIDplus
35602-69-8
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
20957219
PubMed citation
Europe PMC
22687440
PubMed citation
Europe PMC
24151965
PubMed citation
Europe PMC
24853476
PubMed citation
Europe PMC
5762191
PubMed citation
Europe PMC
8077850
PubMed citation
Europe PMC
9020103
PubMed citation
SUBMITTER
Last Modified
23 October 2015