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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50106 - 5β-scymnol
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ChEBI Ontology
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ChEBI Name
5β-scymnol
ChEBI ID
CHEBI:50106
ChEBI ASCII Name
5beta-scymnol
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H48O6
Net Charge
0
Average Mass
468.66640
Monoisotopic Mass
468.34509
InChI
InChI=1S/C27H48O6/c1-
15(4-
7-
22(31)
16(13-
28)
14-
29)
19-
5-
6-
20-
25-
21(12-
24(33)
27(19,20)
3)
26(2)
9-
8-
18(30)
10-
17(26)
11-
23(25)
32/h15-
25,28-
33H,4-
14H2,1-
3H3/t15-
,17+,18-
,19-
,20+,21+,22-
,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
DIPHJTHZUWDJIK-JPLAUYQNSA-N
SMILES
[H]
[C@@]
12C[C@H]
(O)
CC[C@]
1(C)
[C@@]
1([H]
)
C[C@H]
(O)
[C@]
3(C)
[C@]
([H]
)
(CC[C@@]
3([H]
)
[C@]
1([H]
)
[C@H]
(O)
C2)
[C@H]
(C)
CC[C@@H]
(O)
C(CO)
CO
ChEBI Ontology
Outgoing
5β-scymnol (
CHEBI:50106
)
has parent hydride
5β-cholestane (
CHEBI:35517
)
5β-scymnol (
CHEBI:50106
)
is a
12α-hydroxy steroid (
CHEBI:36846
)
5β-scymnol (
CHEBI:50106
)
is a
24-hydroxy steroid (
CHEBI:36865
)
5β-scymnol (
CHEBI:50106
)
is a
26-hydroxy steroid (
CHEBI:36852
)
5β-scymnol (
CHEBI:50106
)
is a
27-hydroxy steroid (
CHEBI:37914
)
5β-scymnol (
CHEBI:50106
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
5β-scymnol (
CHEBI:50106
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
Incoming
5β-scymnol sulfate (
CHEBI:50107
)
has functional parent
5β-scymnol (
CHEBI:50106
)
IUPAC Name
(24
R
)-5β-cholestane-3α,7α,12α,24,26,27-hexol
Synonyms
Sources
5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol
KEGG COMPOUND
5β-scymnol
UniProt
5beta-Scymnol
KEGG COMPOUND
Scymnol
ChemIDplus
Manual Xref
Database
C16260
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
5451487
Beilstein Registry Number
Beilstein
6785-34-8
CAS Registry Number
ChemIDplus
Last Modified
13 November 2017