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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:42989 - 7β-hydroxycholesterol
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ChEBI Name
7β-hydroxycholesterol
ChEBI ID
CHEBI:42989
ChEBI ASCII Name
7beta-hydroxycholesterol
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:35351, CHEBI:42983
Supplier Information
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Formula
C27H46O2
Net Charge
0
Average Mass
402.65294
Monoisotopic Mass
402.34978
InChI
InChI=1S/C27H46O2/c1-
17(2)
7-
6-
8-
18(3)
21-
9-
10-
22-
25-
23(12-
14-
27(21,22)
5)
26(4)
13-
11-
20(28)
15-
19(26)
16-
24(25)
29/h16-
18,20-
25,28-
29H,6-
15H2,1-
5H3/t18-
,20+,21-
,22+,23+,24+,25+,26+,27-
/m1/s1
InChIKey
OYXZMSRRJOYLLO-KGZHIOMZSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
[C@@H]
(O)
C=C4C[C@@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
[C@H]
(C)
CCCC(C)
C
ChEBI Ontology
Outgoing
7β-hydroxycholesterol (
CHEBI:42989
)
has functional parent
cholesterol (
CHEBI:16113
)
7β-hydroxycholesterol (
CHEBI:42989
)
is a
7β-hydroxy steroid (
CHEBI:35349
)
7β-hydroxycholesterol (
CHEBI:42989
)
is a
oxysterol (
CHEBI:53030
)
IUPAC Name
cholest-5-ene-3β,7β-diol
Synonyms
Sources
(3β,7β)-cholest-5-ene-3,7-diol
ChemIDplus
7-HYDROXYCHOLESTEROL
PDBeChem
7β-hydroxycholesterol
ChemIDplus
7β-hydroxycholesterol
UniProt
Manual Xrefs
Databases
HCR
PDBeChem
LMST01010047
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
3218479
Beilstein Registry Number
Beilstein
566-27-8
CAS Registry Number
ChemIDplus
Last Modified
27 September 2016