Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:48700 - 5β-cholestane-3α,7α,24-triol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
5β-cholestane-3α,7α,24-triol
ChEBI ID
CHEBI:48700
ChEBI ASCII Name
5beta-cholestane-3alpha,7alpha,24-triol
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C27H48O3
Net Charge
0
Average Mass
420.66822
Monoisotopic Mass
420.36035
InChI
InChI=1S/C27H48O3/c1-
16(2)
23(29)
9-
6-
17(3)
20-
7-
8-
21-
25-
22(11-
13-
27(20,21)
5)
26(4)
12-
10-
19(28)
14-
18(26)
15-
24(25)
30/h16-
25,28-
30H,6-
15H2,1-
5H3/t17-
,18+,19-
,20-
,21+,22+,23?,24-
,25+,26+,27-
/m1/s1
InChIKey
VDKSIHRRZLCAGD-RESWAWEDSA-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)
CCC(O)
C(C)
C
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
5β-cholestane-3α,7α,24-triol (
CHEBI:48700
)
has parent hydride
5β-cholestane (
CHEBI:35517
)
5β-cholestane-3α,7α,24-triol (
CHEBI:48700
)
has role
bile acid metabolite (
CHEBI:48887
)
5β-cholestane-3α,7α,24-triol (
CHEBI:48700
)
is a
24-hydroxy steroid (
CHEBI:36865
)
5β-cholestane-3α,7α,24-triol (
CHEBI:48700
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
5β-cholestane-3α,7α,24-triol (
CHEBI:48700
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
Incoming
(24
S
)-5β-cholestane-3α,7α,24-triol (
CHEBI:63831
)
is a
5β-cholestane-3α,7α,24-triol (
CHEBI:48700
)
IUPAC Name
5β-cholestane-3α,7α,24-triol
Synonym
Source
5β-cholestan-3α,7α,24-triol
ChEBI
Manual Xref
Database
LMST04030022
LIPID MAPS
View more database links
Last Modified
06 February 2012