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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:41509 - cholesteryl linoleate
Main
ChEBI Ontology
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ChEBI Name
cholesteryl linoleate
ChEBI ID
CHEBI:41509
Definition
The (9
Z
,12
Z
)-stereoisomer of cholesteryl octadeca-9,12-dienoate.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:84337
Supplier Information
Download
Molfile
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Molfile
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Formula
C45H76O2
Net Charge
0
Average Mass
649.08374
Monoisotopic Mass
648.58453
InChI
InChI=1S/C45H76O2/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/h11-
12,14-
15,26,35-
36,38-
42H,7-
10,13,16-
25,27-
34H2,1-
6H3/b12-
11-
,15-
14-
/t36-
,38+,39+,40-
,41+,42+,44+,45-
/m1/s1
InChIKey
NAACPBBQTFFYQB-LJAITQKLSA-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)
CCCCCCC\C=C/C\C=C/CCCCC)
[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):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholesteryl linoleate (
CHEBI:41509
)
has functional parent
linoleic acid (
CHEBI:17351
)
cholesteryl linoleate (
CHEBI:41509
)
has role
human metabolite (
CHEBI:77746
)
cholesteryl linoleate (
CHEBI:41509
)
has role
mouse metabolite (
CHEBI:75771
)
cholesteryl linoleate (
CHEBI:41509
)
is a
CE(18:2) (
CHEBI:183799
)
cholesteryl linoleate (
CHEBI:41509
)
is a
cholesteryl octadeca-9,12-dienoate (
CHEBI:46903
)
IUPAC Name
(3β)-cholest-5-en-3-yl (9
Z
,12
Z
)-octadeca-9,12-dienoate
Synonyms
Sources
(3β)-cholest-5-en-3-ol, (9
Z
,12
Z
)-9,12-octadecadienoate
ChemIDplus
(3β)-cholest-5-en-3-ol, (
Z
,
Z
)-9,12-octadecadienoate
ChemIDplus
(Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate
KEGG COMPOUND
18:2 Cholesteryl ester
LIPID MAPS
CE(18:2(9Z,12Z))
LIPID MAPS
CE(18:2)
LIPID MAPS
cholest-5-en-3β-yl (
Z
,
Z
)-octadeca-9,12-dienoate
ChemIDplus
cholesteryl (9
Z
,12
Z
)-octadecadienoate
UniProt
CHOLESTERYL LINOLEATE
PDBeChem
Manual Xrefs
Databases
C15441
KEGG COMPOUND
CLL
PDBeChem
DB02092
DrugBank
LMST01020008
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2343143
Beilstein Registry Number
Beilstein
604-33-1
CAS Registry Number
ChemIDplus
Last Modified
15 November 2021