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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:28047 - 5β-cholestane-3α,7α-diol
Main
ChEBI Ontology
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ChEBI Name
5β-cholestane-3α,7α-diol
ChEBI ID
CHEBI:28047
ChEBI ASCII Name
5beta-cholestane-3alpha,7alpha-diol
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1708, CHEBI:20233
Supplier Information
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Formula
C27H48O2
Net Charge
0
Average Mass
404.66882
Monoisotopic Mass
404.36543
InChI
InChI=1S/C27H48O2/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-
25,28-
29H,6-
16H2,1-
5H3/t18-
,19+,20-
,21-
,22+,23+,24-
,25+,26+,27-
/m1/s1
InChIKey
APYVEUGLZHAHDJ-TVRYRFOISA-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)
CCCC(C)
C
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
5β-cholestane-3α,7α-diol (
CHEBI:28047
)
has parent hydride
5β-cholestane (
CHEBI:35517
)
5β-cholestane-3α,7α-diol (
CHEBI:28047
)
has role
human metabolite (
CHEBI:77746
)
5β-cholestane-3α,7α-diol (
CHEBI:28047
)
has role
mouse metabolite (
CHEBI:75771
)
5β-cholestane-3α,7α-diol (
CHEBI:28047
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
5β-cholestane-3α,7α-diol (
CHEBI:28047
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
Synonyms
Sources
3alpha,7alpha-dihydroxy-5beta-cholestane
ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestane
KEGG COMPOUND
5beta-Cholestane-3alpha,7alpha-diol
KEGG COMPOUND
5β-cholestane-3α,7α-diol
ChEBI
5β-cholestane-3α,7α-diol
UniProt
Dihydroxycoprostane
ChemIDplus
Manual Xrefs
Databases
C05452
KEGG COMPOUND
LMST04030109
LIPID MAPS
View more database links
Registry Number
Type
Source
3862-26-8
CAS Registry Number
ChemIDplus
Last Modified
27 January 2016