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> Main
CHEBI:2290 - 7α-hydroxy-5β-cholestan-3-one
Main
ChEBI Ontology
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ChEBI Name
7α-hydroxy-5β-cholestan-3-one
ChEBI ID
CHEBI:2290
ChEBI ASCII Name
7alpha-hydroxy-5beta-cholestan-3-one
Definition
A 3-oxo-5β-steroid that is 5β-cholestan-3-one bearing an additional hydroxy substituent at position 7α .
Stars
This entity has been manually annotated by the ChEBI Team.
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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/h17-
19,21-
25,29H,6-
16H2,1-
5H3/t18-
,19+,21-
,22+,23+,24-
,25+,26+,27-
/m1/s1
InChIKey
HWOOALPDOJHOPO-YREUSXKVSA-N
SMILES
[H]
[C@]
12C[C@@H]
(O)
[C@]
3([H]
)
[C@]
([H]
)
(CC[C@]
4(C)
[C@]
([H]
)
(CC[C@@]
34[H]
)
[C@H]
(C)
CCCC(C)
C)
[C@@]
1(C)
CCC(=O)
C2
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7α-hydroxy-5β-cholestan-3-one (
CHEBI:2290
)
has parent hydride
5β-cholestane (
CHEBI:35517
)
7α-hydroxy-5β-cholestan-3-one (
CHEBI:2290
)
has role
human metabolite (
CHEBI:77746
)
7α-hydroxy-5β-cholestan-3-one (
CHEBI:2290
)
has role
mouse metabolite (
CHEBI:75771
)
7α-hydroxy-5β-cholestan-3-one (
CHEBI:2290
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
7α-hydroxy-5β-cholestan-3-one (
CHEBI:2290
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
IUPAC Name
7α-hydroxy-5β-cholestan-3-one
Synonyms
Sources
5β-cholestan-7α-ol-3-one
ChEBI
5beta-Cholestan-7alpha-ol-3-one
KEGG COMPOUND
7α-hydroxy-5β-cholestan-3-one
UniProt
7alpha-Hydroxy-5beta-cholestan-3-one
KEGG COMPOUND
Manual Xrefs
Databases
C05451
KEGG COMPOUND
CPD-10548
MetaCyc
HMDB0006892
HMDB
LMST04030112
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2300476
Beilstein Registry Number
Beilstein
3159830
Reaxys Registry Number
Reaxys
3159830
Beilstein Registry Number
Beilstein
Last Modified
26 April 2017