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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:63848 - (24
S
)-3α,7α,24-trihydroxy-5β-cholestan-26-al
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ChEBI Name
(24
S
)-3α,7α,24-trihydroxy-5β-cholestan-26-al
ChEBI ID
CHEBI:63848
ChEBI ASCII Name
(24S)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
Definition
3α,7α,24-trihydroxy-5β-cholestan-26-al with
S
-configuration at C-24.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H46O4
Net Charge
0
Average Mass
434.65170
Monoisotopic Mass
434.33961
InChI
InChI=1S/C27H46O4/c1-
16(5-
8-
23(30)
17(2)
15-
28)
20-
6-
7-
21-
25-
22(10-
12-
27(20,21)
4)
26(3)
11-
9-
19(29)
13-
18(26)
14-
24(25)
31/h15-
25,29-
31H,5-
14H2,1-
4H3/t16-
,17?,18+,19-
,20-
,21+,22+,23+,24-
,25+,26+,27-
/m1/s1
InChIKey
GDUNLMLXJUYQIN-MNABXBHASA-N
SMILES
[H]
[C@@]
12C[C@H]
(O)
CC[C@]
1(C)
[C@@]
1([H]
)
CC[C@]
3(C)
[C@]
([H]
)
(CC[C@@]
3([H]
)
[C@]
1([H]
)
[C@H]
(O)
C2)
[C@H]
(C)
CC[C@H]
(O)
C(C)
C=O
Roles Classification
Biological Role
(s):
bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
(via
3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(24
S
)-3α,7α,24-trihydroxy-5β-cholestan-26-al (
CHEBI:63848
)
is a
3α,7α,24-trihydroxy-5β-cholestan-26-al (
CHEBI:48734
)
Synonym
Source
3α,7α,24(
S
)-trihydroxy-5β-cholestan-27-al
ChEBI
Last Modified
07 February 2012