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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25S)-5β-spirostan-3β-yl β-D-glucoside
ChEBI ID CHEBI:15579
ChEBI ASCII Name (25S)-5beta-spirostan-3beta-yl beta-D-glucoside
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10855, CHEBI:179, CHEBI:18538
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C33H54O8
Net Charge 0
Average Mass 578.77706
Monoisotopic Mass 578.38187
InChI InChI=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
InChIKey ZNEIIZNXGCIAAL-TXUJEBAWSA-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](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(25S)-5β-spirostan-3β-ol 3-O-β-D-glucoside KEGG COMPOUND
(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside KEGG COMPOUND
(25S)-5β-spirostan-3β-yl β-D-glucopyranoside LIPID MAPS
(25S)-5β-spirostan-3β-yl β-D-glucoside UniProt
asparagoside A KEGG COMPOUND
Manual Xrefs Databases
C00003563 KNApSAcK
C08886 KEGG COMPOUND
LMST01080008 LIPID MAPS
View more database links
Registry Numbers Types Sources
14835-43-9 CAS Registry Number KEGG COMPOUND
99976 Beilstein Registry Number Beilstein
Citation
Last Modified
28 May 2024