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ChEBI
> Main
CHEBI:28933 - (25
R
)-5β-spirostan-3β-ol
Main
ChEBI Ontology
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ChEBI Name
(25
R
)-5β-spirostan-3β-ol
ChEBI ID
CHEBI:28933
ChEBI ASCII Name
(25R)-5beta-spirostan-3beta-ol
Definition
An oxaspiro compound that is(5β,25
R
)-spirostan substituted by a β-hydroxy group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:9174, CHEBI:18536
Supplier Information
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Formula
C27H44O3
Net Charge
0
Average Mass
416.63646
Monoisotopic Mass
416.32905
InChI
InChI=1S/C27H44O3/c1-
16-
7-
12-
27(29-
15-
16)
17(2)
24-
23(30-
27)
14-
22-
20-
6-
5-
18-
13-
19(28)
8-
10-
25(18,3)
21(20)
9-
11-
26(22,24)
4/h16-
24,28H,5-
15H2,1-
4H3/t16-
,17+,18-
,19+,20-
,21+,22+,23+,24+,25+,26+,27-
/m1/s1
InChIKey
GMBQZIIUCVWOCD-UQHLGXRBSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@]
([H]
)
(CC[C@@]
4(C)
[C@@]
3([H]
)
C[C@]
3([H]
)
O[C@]
5(CC[C@@H]
(C)
CO5)
[C@@H]
(C)
[C@]
43[H]
)
[C@@]
1(C)
CC[C@H]
(O)
C2
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
has parent hydride
(25
R
)-5β-spirostan (
CHEBI:35535
)
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
has role
antineoplastic agent (
CHEBI:35610
)
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
has role
metabolite (
CHEBI:25212
)
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
is a
organic heterohexacyclic compound (
CHEBI:51914
)
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
is a
oxaspiro compound (
CHEBI:37948
)
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
is a
sapogenin (
CHEBI:26606
)
Incoming
Ys-II (
CHEBI:66497
)
has functional parent
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
Ys-IV (
CHEBI:66498
)
has functional parent
(25
R
)-5β-spirostan-3β-ol (
CHEBI:28933
)
IUPAC Name
(3β,5β,25
R
)-spirostan-3-ol
Synonyms
Sources
(25R)-5beta-spirostan-3beta-ol
ChEBI
(25R)-5beta-Spirostan-3beta-ol
KEGG COMPOUND
Isosarsapogenin
HMDB
Smilagenin
KEGG COMPOUND
Manual Xrefs
Databases
C00003592
KNApSAcK
C08913
KEGG COMPOUND
HMDB0030048
HMDB
KR20090007505
Patent
KR20090009997
Patent
LMST01080005
LIPID MAPS
UA81133
Patent
US2007191290
Patent
View more database links
Registry Numbers
Types
Sources
126-18-1
CAS Registry Number
KEGG COMPOUND
126-18-1
CAS Registry Number
ChemIDplus
91753
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17996228
PubMed citation
Europe PMC
18676061
PubMed citation
Europe PMC
22441042
PubMed citation
Europe PMC
23624370
PubMed citation
Europe PMC
Last Modified
28 July 2014