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> Main
CHEBI:84341 - cholesteryl linolenate
Main
ChEBI Ontology
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ChEBI Name
cholesteryl linolenate
ChEBI ID
CHEBI:84341
Definition
A cholesterol ester obtained by the formal condensation of cholesterol with (9
Z
,12
Z
,15
Z
)-octadeca-9,12,15-trienoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C45H74O2
Net Charge
0
Average Mass
647.06790
Monoisotopic Mass
646.56888
InChI
InChI=1S/C45H74O2/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/h8-
9,11-
12,14-
15,26,35-
36,38-
42H,7,10,13,16-
25,27-
34H2,1-
6H3/b9-
8-
,12-
11-
,15-
14-
/t36-
,38+,39+,40-
,41+,42+,44+,45-
/m1/s1
InChIKey
FYMCIBHUFSIWCE-WVXFKAQASA-N
SMILES
CC\C=C/C\C=C/C\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 linolenate (
CHEBI:84341
)
has functional parent
α-linolenic acid (
CHEBI:27432
)
cholesteryl linolenate (
CHEBI:84341
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl linolenate (
CHEBI:84341
)
is a
cholesteryl octadecatrienoate (
CHEBI:132004
)
IUPAC Name
(3β)-cholest-5-en-3-yl (9
Z
,12
Z
,15
Z
)-octadeca-9,12,15-trienoate
Synonyms
Sources
(9
Z
,12
Z
,15
Z
-octadecatrienoyl)-cholesterol
UniProt
18:3 Cholesteryl ester
LIPID MAPS
CE(18:3(9Z,12Z,15Z))
LIPID MAPS
CE(18:3)
LIPID MAPS
cholesteryl (9
Z
,12
Z
,15
Z
)-octadeca-9,12,15-trienoate
ChEBI
Manual Xrefs
Databases
HMDB0010370
HMDB
LMST01020009
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2343203
Reaxys Registry Number
Reaxys
2545-22-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
4472397
PubMed citation
Europe PMC
9167940
PubMed citation
Europe PMC
Last Modified
23 November 2020