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ChEBI
> Main
CHEBI:133745 - cholesteryl nonadecanoate
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ChEBI Name
cholesteryl nonadecanoate
ChEBI ID
CHEBI:133745
Definition
A cholesterol ester derived obtained by formal condensation of the carboxy group of nonadecanoic acid with the 3-hydroxy group of cholesterol.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
No supplier information found for this compound.
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Formula
C46H82O2
Net Charge
0
Average Mass
667.144
Monoisotopic Mass
666.63148
InChI
InChI=1S/C46H82O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21-
22-
26-
44(47)
48-
39-
31-
33-
45(5)
38(35-
39)
27-
28-
40-
42-
30-
29-
41(37(4)
25-
23-
24-
36(2)
3)
46(42,6)
34-
32-
43(40)
45/h27,36-
37,39-
43H,7-
26,28-
35H2,1-
6H3/t37-
,39+,40+,41-
,42+,43+,45+,46-
/m1/s1
InChIKey
VHYWECIJXTVRSG-TVDLSCFRSA-N
SMILES
C(CCCCCCCC)
CCCCCCCCCC(O[C@@H]
1CC=2[C@]
([C@]
3(CC[C@]
4([C@]
([C@@]
3(CC2)
[H]
)
(CC[C@@]
4([C@H]
(C)
CCCC(C)
C)
[H]
)
[H]
)
C)
[H]
)
(C)
CC1)
=O
Metabolite of Species
Details
Homo Sapiens
(NCBI:txid9606)
Found in blood serum
(BTO:0000133)
. See:
MetaboLights Study
Roles Classification
Biological Role
(s):
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholesteryl nonadecanoate (
CHEBI:133745
)
has functional parent
nonadecanoic acid (
CHEBI:39246
)
cholesteryl nonadecanoate (
CHEBI:133745
)
has role
human blood serum metabolite (
CHEBI:85234
)
cholesteryl nonadecanoate (
CHEBI:133745
)
is a
cholesteryl ester (
CHEBI:17002
)
Synonyms
Sources
19:0 Cholesterol ester
HMDB
19:0 Cholesteryl ester
LIPID MAPS
CE 19:0
ChEBI
CE(19:0)
ChEBI
Cholest-5-en-3beta-yl nonadecanoate
HMDB
cholest-5-en-3β-yl nonadecanoate
LIPID MAPS
nonadecanoylcholesterol
ChEBI
Manual Xrefs
Databases
20118443
ChemSpider
HMDB0006738
HMDB
LMST01020002
LIPID MAPS
View more database links
Registry Number
Type
Source
25605-90-7
CAS Registry Number
HMDB
Last Modified
29 March 2017