Details of the Drug

General Information of Drug (ID: DM0TZPL)

• 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
• #Ro5 Violations (Lipinski): 5:
  Molecular Weight (mw); 504.4
  Logarithm of the Partition Coefficient (xlogp); -7.2
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 11
  Hydrogen Bond Acceptor Count (hbondacc); 16
• Chemical Identifiers:
  Formula: C18H32O16
  IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
  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: RXVWSYJTUUKTEA-DSOVBJLESA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 165512
  CAS Number: 6587-31-1
  INTEDE ID: DR2720

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-galactosidase (bgaB) Main DME	DEPR1Y7	BGAL_BIFAA	Substrate	[1]

References

• [1] Diverse galactooligosaccharides consumption by bifidobacteria: implications of beta-galactosidase--LacS operon. Biosci Biotechnol Biochem. 2015;79(4):664-72.