CHEBI:28933 - (25R)-5β-spirostan-3β-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25R)-5β-spirostan-3β-ol
ChEBI ID CHEBI:28933
ChEBI ASCII Name (25R)-5beta-spirostan-3beta-ol
Definition An oxaspiro compound that is(5β,25R)-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
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.329
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 (25R)-5β-spirostan-3β-ol (CHEBI:28933) has parent hydride (25R)-5β-spirostan (CHEBI:35535)
(25R)-5β-spirostan-3β-ol (CHEBI:28933) has role antineoplastic agent (CHEBI:35610)
(25R)-5β-spirostan-3β-ol (CHEBI:28933) has role metabolite (CHEBI:25212)
(25R)-5β-spirostan-3β-ol (CHEBI:28933) is a 3β-hydroxy steroid (CHEBI:36836)
(25R)-5β-spirostan-3β-ol (CHEBI:28933) is a organic heterohexacyclic compound (CHEBI:51914)
(25R)-5β-spirostan-3β-ol (CHEBI:28933) is a oxaspiro compound (CHEBI:37948)
(25R)-5β-spirostan-3β-ol (CHEBI:28933) is a sapogenin (CHEBI:26606)
Incoming Ys-II (CHEBI:66497) has functional parent (25R)-5β-spirostan-3β-ol (CHEBI:28933)
Ys-IV (CHEBI:66498) has functional parent (25R)-5β-spirostan-3β-ol (CHEBI:28933)
IUPAC Name
(3β,5β,25R)-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 Waiting for 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