Details of the Drug

General Information of Drug (ID: DM1YBTC)

• Drug Name: D-glucuronate
• Synonyms: AEMOLEFTQBMNLQ-AQKNRBDQSA-N; D-GlcA; D-Glucopyranuronate; D-Glucopyranuronic Acid; D-Glucuronate; D-Glucuronic Acid; Glucopyranuronate; Glucopyranuronic Acid; Glucosiduronic acid; Glucuronate; Glucuronic Acid; Maybridge1_004154; O_FULL_00000000001000_GS_791; SR-01000639202-1; AC1L3SRL; AC1Q5R59; AKOS015955920; C00191; CCG-49770; CHEBI:47952; CHEMBL496672; DTXSID50894097; EINECS 208-429-7; Epitope ID:115136; GlcA; HMS553E20; SCHEMBL30411; WURCS=2.0/1,1,0/[a2122A-1x_1-5]/1/; bmse000140
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 194.14
  Logarithm of the Partition Coefficient (xlogp); -2.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C6H10O7
  IUPAC Name: (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
  Canonical SMILES: C1(C(C(OC(C1O)O)C(=O)O)O)O
  InChI: AEMOLEFTQBMNLQ-AQKNRBDQSA-N
  InChIKey: 1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1
• Cross-matching ID:
  PubChem CID: 94715
  ChEBI ID: CHEBI:47952
  CAS Number: 528-16-5
  UNII: R4R8J0Q44B
  DrugBank ID: DB13180
  INTEDE ID: DR1996

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Aldo-keto reductase 1A1 (AKR1A1) Main DME	DED2FW3	AK1A1_HUMAN	Substrate	[1]

References

• [1] The C-terminal loop of aldehyde reductase determines the substrate and inhibitor specificity. Biochemistry. 1996 Nov 12;35(45):14276-80.