Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2720)
Drug Name
LS-71719
Synonyms Galactooligosaccharide; LS-71719; NOCAS_276547; 4'-Galactooligosaccharide; D-Glucose, O-beta-D-galactopyranosyl-(1-4)-O-beta-D-galactopyranosyl-(1-4)-; DTXSID60276547; SCHEMBL12362685
Indication Anxiety disorder [ICD11: 6B00] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 504.4 Topological Polar Surface Area 277
Heavy Atom Count 34 Rotatable Bond Count 11
Hydrogen Bond Donor Count 11 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
165512
CAS Number
6587-31-1
Formula
C18H32O16
Canonical SMILES
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O)O)O
InChI
1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15+,16-,17-,18-/m0/s1
InChIKey
RXVWSYJTUUKTEA-DSOVBJLESA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
LS-71719 Metabolite F1 DM004188 N. A. Hydrolysis - Hydrolyzation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004584 LS-71719 LS-71719 Metabolite F1 Hydrolysis - Hydrolyzation bgaB [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-galactosidase (bgaB) DME1140 Bifidobacterium adolescentis
BGAL_BIFAA
3.2.1.23
[2]
References
1 ClinicalTrials.gov (NCT02953691) Exploring the Impact of Perioperative Galacto-Oligosaccharides (GOS) on Stress, Anxiety and Cognition
2 Diverse galactooligosaccharides consumption by bifidobacteria: implications of beta-galactosidase--LacS operon. Biosci Biotechnol Biochem. 2015;79(4):664-72.
3 Characterization of a bifidobacterial system that utilizes galacto-oligosaccharides

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