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ChEBI
> Main
CHEBI:84329 - cholesteryl (9
Z
)-heptadecenoate
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ChEBI Name
cholesteryl (9
Z
)-heptadecenoate
ChEBI ID
CHEBI:84329
ChEBI ASCII Name
cholesteryl (9Z)-heptadecenoate
Definition
A cholesterol ester obtained by the formal condensation of cholesterol with
cis
-9-heptadecenoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C44H76O2
Net Charge
0
Average Mass
637.07300
Monoisotopic Mass
636.58453
InChI
InChI=1S/C44H76O2/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/h13-
14,25,34-
35,37-
41H,7-
12,15-
24,26-
33H2,1-
6H3/b14-
13-
/t35-
,37+,38+,39-
,40+,41+,43+,44-
/m1/s1
InChIKey
RLMIGWIAENJHMP-RJRTUNKTSA-N
SMILES
CCCCCCC\C=C/CCCCCCCC(=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 (9
Z
)-heptadecenoate (
CHEBI:84329
)
has functional parent
(9
Z
)-heptadecenoic acid (
CHEBI:84328
)
cholesteryl (9
Z
)-heptadecenoate (
CHEBI:84329
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl (9
Z
)-heptadecenoate (
CHEBI:84329
)
is a
CE(17:1) (
CHEBI:137554
)
IUPAC Name
(3β)-cholest-5-en-3-yl (9
Z
)-heptadec-9-enoate
Synonym
Source
CE(17:1(9Z))
LIPID MAPS
Manual Xref
Database
LMST01020023
LIPID MAPS
View more database links
Last Modified
27 June 2017