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> Main
CHEBI:84326 - cholesteryl heptadecanoate
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ChEBI Name
cholesteryl heptadecanoate
ChEBI ID
CHEBI:84326
Definition
A cholesterol ester obtained by the formal condensation of cholesterol with margaric acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C44H78O2
Net Charge
0
Average Mass
639.08890
Monoisotopic Mass
638.60018
InChI
InChI=1S/C44H78O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
24-
42(45)
46-
37-
29-
31-
43(5)
36(33-
37)
25-
26-
38-
40-
28-
27-
39(35(4)
23-
21-
22-
34(2)
3)
44(40,6)
32-
30-
41(38)
43/h25,34-
35,37-
41H,7-
24,26-
33H2,1-
6H3/t35-
,37+,38+,39-
,40+,41+,43+,44-
/m1/s1
InChIKey
PPQNZVDOBYGOLY-BFGJSWSOSA-N
SMILES
CCCCCCCCCCCCCCCCC(=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 heptadecanoate (
CHEBI:84326
)
has functional parent
heptadecanoic acid (
CHEBI:32365
)
cholesteryl heptadecanoate (
CHEBI:84326
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl heptadecanoate (
CHEBI:84326
)
is a
cholesteryl ester (
CHEBI:17002
)
IUPAC Name
(3β)-cholest-5-en-3-yl heptadecanoate
Synonyms
Sources
17:0 Cholesteryl ester
LIPID MAPS
CE(17:0)
HMDB
Manual Xrefs
Databases
HMDB0060059
HMDB
LMST01020026
LIPID MAPS
View more database links
Registry Number
Type
Source
6547818
Reaxys Registry Number
Reaxys
Citations
Types
Sources
2339790
PubMed citation
Europe PMC
2584344
PubMed citation
Europe PMC
7952108
PubMed citation
Europe PMC
8077850
PubMed citation
Europe PMC
Last Modified
23 October 2015