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ChEBI
> Main
CHEBI:48939 - (25
R
)-5β-cholestane-3α,7α,12α,26-tetrol
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ChEBI Name
(25
R
)-5β-cholestane-3α,7α,12α,26-tetrol
ChEBI ID
CHEBI:48939
ChEBI ASCII Name
(25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H48O4
Net Charge
0
Average Mass
436.66762
Monoisotopic Mass
436.35526
InChI
InChI=1S/C27H48O4/c1-
16(15-
28)
6-
5-
7-
17(2)
20-
8-
9-
21-
25-
22(14-
24(31)
27(20,21)
4)
26(3)
11-
10-
19(29)
12-
18(26)
13-
23(25)
30/h16-
25,28-
31H,5-
15H2,1-
4H3/t16-
,17-
,18+,19-
,20-
,21+,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
XJZGNVBLVFOSKJ-IUFSEJPUSA-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)
CCC[C@@H]
(C)
CO
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol
)
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(25
R
)-5β-cholestane-3α,7α,12α,26-tetrol (
CHEBI:48939
)
is a
5β-cholestane-3α,7α,12α,26-tetrol (
CHEBI:17278
)
IUPAC Name
(25
R
)-5β-cholestane-3α,7α,12α,26-tetrol
Synonym
Source
(25
R
)-5β-cholestane-3α,7α,12α,26-tetrol
UniProt
Registry Number
Type
Source
3216863
Beilstein Registry Number
Beilstein
Last Modified
20 April 2015