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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3663 - cholesteryl palmitate
Main
ChEBI Ontology
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ChEBI Name
cholesteryl palmitate
ChEBI ID
CHEBI:3663
Definition
A cholesterol ester obtained by the formal condensation of cholesterol with palmitic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:84319
Supplier Information
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Molfile
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Formula
C43H76O2
Net Charge
0
Average Mass
625.06234
Monoisotopic Mass
624.58453
InChI
InChI=1S/C43H76O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
23-
41(44)
45-
36-
28-
30-
42(5)
35(32-
36)
24-
25-
37-
39-
27-
26-
38(34(4)
22-
20-
21-
33(2)
3)
43(39,6)
31-
29-
40(37)
42/h24,33-
34,36-
40H,7-
23,25-
32H2,1-
6H3/t34-
,36+,37+,38-
,39+,40+,42+,43-
/m1/s1
InChIKey
BBJQPKLGPMQWBU-JADYGXMDSA-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)
CCCCCCCCCCCCCCC)
[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
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholesteryl palmitate (
CHEBI:3663
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
cholesteryl palmitate (
CHEBI:3663
)
has role
human metabolite (
CHEBI:77746
)
cholesteryl palmitate (
CHEBI:3663
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl palmitate (
CHEBI:3663
)
is a
cholesteryl ester (
CHEBI:17002
)
IUPAC Name
(3β)-cholest-5-en-3-yl hexadecanoate
Synonyms
Sources
(3β)-cholest-5-en-3-ol hexadecanoate
NIST Chemistry WebBook
16:0 Cholesterol ester
HMDB
CE
ChEBI
CE(16:0)
HMDB
cholesterol palmitate
NIST Chemistry WebBook
cholesteryl hexadecanoate
ChemIDplus
cholesteryl hexadecanoate
UniProt
Cholesteryl palmitate
KEGG COMPOUND
hexadecanoic acid, cholesteryl ester
ChemIDplus
Palmitic acid cholesteryl ester
HMDB
Manual Xrefs
Databases
C11251
KEGG COMPOUND
HMDB0000885
HMDB
LMST01020005
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2342867
Reaxys Registry Number
Reaxys
2342867
Beilstein Registry Number
Beilstein
601-34-3
CAS Registry Number
KEGG COMPOUND
601-34-3
CAS Registry Number
NIST Chemistry WebBook
601-34-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
26884207
PubMed citation
Europe PMC
3605272
PubMed citation
Europe PMC
3734635
PubMed citation
Europe PMC
4147522
PubMed citation
Europe PMC
7190843
PubMed citation
Europe PMC
Last Modified
11 May 2016