CHEBI:15575 - nuatigenin 3-β-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nuatigenin 3-β-D-glucopyranoside
ChEBI ID CHEBI:15575
ChEBI ASCII Name nuatigenin 3-beta-D-glucopyranoside
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10851, CHEBI:18530, CHEBI:175, CHEBI:57420
Supplier Information ZINC000008219666
Download Molfile XML SDF
Formula C33H52O9
Net Charge 0
Average Mass 592.76058
Monoisotopic Mass 592.36113
InChI InChI=1S/C33H52O9/c1-17-25-23(41-33(17)12-11-30(2,16-35)42-33)14-22-20-6-5-18-13-19(7-9-31(18,3)21(20)8-10-32(22,25)4)39-29-28(38)27(37)26(36)24(15-34)40-29/h5,17,19-29,34-38H,6-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-/m0/s1
InChIKey QJEQHVALLZCTGC-HPNIRRCESA-N
SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@](C)(CO)O1)O2)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 nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) has functional parent nuatigenin (CHEBI:15574)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) is a β-D-glucoside (CHEBI:22798)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) is a monosaccharide derivative (CHEBI:63367)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) is a steroid saponin (CHEBI:61655)
IUPAC Name
(22S,25S)-26-hydroxy-22,25-epoxyfurost-5-en-3β-yl β-D-glucopyranoside
Synonyms Sources
(20S,22S,25S)-22,25-epoxy-26-hydroxyfurost-5-en-3β-yl β-D-glucopyranoside ChEBI
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside KEGG COMPOUND
nuatigenin 3-β-D-glucopyranoside UniProt
Manual Xref Database
C04859 KEGG COMPOUND
View more database links
Last Modified
12 April 2013