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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:48825 - 7α,26-dihydroxycholest-4-en-3-one
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ChEBI Name
7α,26-dihydroxycholest-4-en-3-one
ChEBI ID
CHEBI:48825
ChEBI ASCII Name
7alpha,26-dihydroxycholest-4-en-3-one
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H44O3
Net Charge
0
Average Mass
416.63646
Monoisotopic Mass
416.32905
InChI
InChI=1S/C27H44O3/c1-
17(16-
28)
6-
5-
7-
18(2)
21-
8-
9-
22-
25-
23(11-
13-
27(21,22)
4)
26(3)
12-
10-
20(29)
14-
19(26)
15-
24(25)
30/h14,17-
18,21-
25,28,30H,5-
13,15-
16H2,1-
4H3/t17?,18-
,21-
,22+,23+,24-
,25+,26+,27-
/m1/s1
InChIKey
KVJVJJWIEXCECB-GWUAJDSISA-N
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO
Roles Classification
Biological Role
(s):
bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7α,26-dihydroxycholest-4-en-3-one (
CHEBI:48825
)
has role
bile acid metabolite (
CHEBI:48887
)
7α,26-dihydroxycholest-4-en-3-one (
CHEBI:48825
)
is a
26-hydroxy steroid (
CHEBI:36852
)
7α,26-dihydroxycholest-4-en-3-one (
CHEBI:48825
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
7α,26-dihydroxycholest-4-en-3-one (
CHEBI:48825
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
7α,26-dihydroxycholest-4-en-3-one (
CHEBI:48825
)
is a
cholestanoid (
CHEBI:50401
)
IUPAC Name
7α,26-dihydroxycholest-4-en-3-one
Synonym
Source
4-cholesten-7α,26-diol-3-one
ChEBI
Manual Xrefs
Databases
C17336
KEGG COMPOUND
HMDB0012459
HMDB
LMST04030157
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
4675-38-1
CAS Registry Number
KEGG COMPOUND
6347657
Beilstein Registry Number
Beilstein
Last Modified
04 May 2017