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CHEBI:166998 - tomatidine 3-O-β-D-glucopyranoside(1+)

ChEBI IDCHEBI:166998
ChEBI Nametomatidine 3-O-β-D-glucopyranoside(1+)
Stars
ASCII Nametomatidine 3-O-beta-D-glucopyranoside(1+)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H56NO7
Net Charge+1
Average Mass578.811
Monoisotopic Mass578.40513
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)C[NH2+]5)[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/C33H55NO7/c1-17-7-12-33(34-15-17)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(38)28(37)27(36)25(16-35)40-30/h17-30,34-38H,5-16H2,1-4H3/p+1/t17-,18-,19-,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33-/m0/s1
InChIKeyJDRMNHOIHYWSFN-UGSFAPCESA-O
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)
tomatidine 3-O-β-D-glucopyranoside(1+) (CHEBI:166998) has functional parent tomatidine (CHEBI:9629)
tomatidine 3-O-β-D-glucopyranoside(1+) (CHEBI:166998) is a monosaccharide derivative (CHEBI:63367)
tomatidine 3-O-β-D-glucopyranoside(1+) (CHEBI:166998) is a sterol 3-β-D-glucoside (CHEBI:37424)
UniProt Name  Source
tomatidine 3-O-β-D-glucopyranosideUniProt
Citations