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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:1301 - (22
S
)-22-hydroxycholesterol
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ChEBI Name
(22
S
)-22-hydroxycholesterol
ChEBI ID
CHEBI:1301
ChEBI ASCII Name
(22S)-22-hydroxycholesterol
Definition
An oxysterol that is the 22
S
-hydroxy derivative of cholesterol.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ChemicalBook:CB3350290
,
eMolecules:31430156
,
ZINC000005759161
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Formula
C27H46O2
Net Charge
0
Average Mass
402.65294
Monoisotopic Mass
402.34978
InChI
InChI=1S/C27H46O2/c1-
17(2)
6-
11-
25(29)
18(3)
22-
9-
10-
23-
21-
8-
7-
19-
16-
20(28)
12-
14-
26(19,4)
24(21)
13-
15-
27(22,23)
5/h7,17-
18,20-
25,28-
29H,6,8-
16H2,1-
5H3/t18-
,20-
,21-
,22+,23-
,24-
,25-
,26-
,27+/m0/s1
InChIKey
RZPAXNJLEKLXNO-QUOSNDFLSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
CC=C4C[C@@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
[C@H]
(C)
[C@@H]
(O)
CCC(C)
C
ChEBI Ontology
Outgoing
(22
S
)-22-hydroxycholesterol (
CHEBI:1301
)
has functional parent
cholesterol (
CHEBI:16113
)
(22
S
)-22-hydroxycholesterol (
CHEBI:1301
)
is a
22-hydroxy steroid (
CHEBI:36863
)
(22
S
)-22-hydroxycholesterol (
CHEBI:1301
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
(22
S
)-22-hydroxycholesterol (
CHEBI:1301
)
is a
oxysterol (
CHEBI:53030
)
IUPAC Name
(22
S
)-cholest-5-ene-3β,22-diol
Synonyms
Sources
(22
S
)-22-hydroxycholesterol
UniProt
(3beta,22S)-Cholest-5-ene-3,22-diol
ChemIDplus
Registry Number
Type
Source
22348-64-7
CAS Registry Number
ChemIDplus
Last Modified
24 April 2017