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CHEBI:15579 - (25S)-5β-spirostan-3β-yl β-D-glucoside

ChEBI IDCHEBI:15579
ChEBI Name(25S)-5β-spirostan-3β-yl β-D-glucoside
Stars
ASCII Name(25S)-5beta-spirostan-3beta-yl beta-D-glucoside
Secondary ChEBI IDsCHEBI:179, CHEBI:10855, CHEBI:18538
Last Modified28 May 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H54O8
Net Charge0
Average Mass578.787
Monoisotopic Mass578.38187
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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1
InChIKeyZNEIIZNXGCIAAL-TXUJEBAWSA-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.
ChEBI Ontology
Outgoing Relation(s)
(25S)-5β-spirostan-3β-yl β-D-glucoside (CHEBI:15579) has functional parent (25S)-5β-spirostan-3β-ol (CHEBI:15578)
(25S)-5β-spirostan-3β-yl β-D-glucoside (CHEBI:15579) is a monosaccharide derivative (CHEBI:63367)
(25S)-5β-spirostan-3β-yl β-D-glucoside (CHEBI:15579) is a sterol 3-β-D-glucoside (CHEBI:37424)
IUPAC Name 
(25S)-5β-spirostan-3β-yl β-D-glucopyranoside
Synonyms  Source
(25S)-5β-spirostan-3β-ol 3-O-β-D-glucosideKEGG COMPOUND
(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucosideKEGG COMPOUND
asparagoside AKEGG COMPOUND
(25S)-5β-spirostan-3β-yl β-D-glucopyranosideLIPID MAPS
UniProt Name  Source
(25S)-5β-spirostan-3β-yl β-D-glucosideUniProt
Manual XrefsDatabases
C08886KEGG COMPOUND
C00003563KNApSAcK
LMST01080008LIPID MAPS
Registry NumbersSources
Beilstein:99976Beilstein
CAS:14835-43-9KEGG COMPOUND
Citations