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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28082 - 5α-cholestane-3β,5,6β-triol
Main
ChEBI Ontology
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ChEBI Name
5α-cholestane-3β,5,6β-triol
ChEBI ID
CHEBI:28082
ChEBI ASCII Name
5alpha-cholestane-3beta,5,6beta-triol
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20241, CHEBI:1717
Supplier Information
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Formula
C27H48O3
Net Charge
0
Average Mass
420.66822
Monoisotopic Mass
420.36035
InChI
InChI=1S/C27H48O3/c1-
17(2)
7-
6-
8-
18(3)
21-
9-
10-
22-
20-
15-
24(29)
27(30)
16-
19(28)
11-
14-
26(27,5)
23(20)
12-
13-
25(21,22)
4/h17-
24,28-
30H,6-
16H2,1-
5H3/t18-
,19+,20+,21-
,22+,23+,24-
,25-
,26-
,27+/m1/s1
InChIKey
YMMFNKXZULYSOQ-RUXQDQFYSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
C[C@@H]
(O)
[C@@]
4(O)
C[C@@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
[C@H]
(C)
CCCC(C)
C
ChEBI Ontology
Outgoing
5α-cholestane-3β,5,6β-triol (
CHEBI:28082
)
has parent hydride
5α-cholestane (
CHEBI:35515
)
5α-cholestane-3β,5,6β-triol (
CHEBI:28082
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
5α-cholestane-3β,5,6β-triol (
CHEBI:28082
)
is a
5α-hydroxy steroid (
CHEBI:38194
)
5α-cholestane-3β,5,6β-triol (
CHEBI:28082
)
is a
6β-hydroxy steroid (
CHEBI:36851
)
IUPAC Name
5α-cholestane-3β,5,6β-triol
Synonyms
Sources
3beta,5alpha,6beta-Cholestanetriol
KEGG COMPOUND
3β,5α,6β-Trihydroxycholestane
ChemIDplus
5α-cholestane-3β,5,6β-triol
UniProt
Cholestane-3-beta,5-alpha,6-beta-triol
ChemIDplus
Cholestane-3beta-5alpha,6beta-triol
KEGG COMPOUND
Manual Xrefs
Databases
C05425
KEGG COMPOUND
LMST01010052
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1253-84-5
CAS Registry Number
KEGG COMPOUND
1253-84-5
CAS Registry Number
ChemIDplus
2221527
Beilstein Registry Number
Beilstein
Last Modified
19 August 2015