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

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

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ChEBI ID	CHEBI:28933
ChEBI Name	(25R)-5β-spirostan-3β-ol
Stars
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.
Secondary ChEBI IDs	CHEBI:9174, CHEBI:18536
Last Modified	28 July 2014
Downloads	Molfile

Formula	C27H44O3
Net Charge	0
Average Mass	416.646
Monoisotopic Mass	416.32905
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
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

Roles Classification

Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	(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 Relation(s)
	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	Source
Smilagenin	KEGG COMPOUND
(25R)-5beta-Spirostan-3beta-ol	KEGG COMPOUND
(25R)-5beta-spirostan-3beta-ol	ChEBI
Isosarsapogenin	HMDB

Manual Xrefs	Databases
C08913	KEGG COMPOUND
LMST01080005	LIPID MAPS
US2007191290	Patent
UA81133	Patent
HMDB0030048	HMDB
KR20090007505	Patent
KR20090009997	Patent
C00003592	KNApSAcK

Registry Numbers	Sources
Reaxys:91753	Reaxys
CAS:126-18-1	KEGG COMPOUND
CAS:126-18-1	ChemIDplus

Citations