Details of the Drug

General Information of Drug (ID: DMAYPLE)

• Drug Name: D-glyceraldehyde
• Synonyms: D(+)-Glyceraldehyde; D-(+)-Glyceraldehyde; D-2,3-dihydroxypropanal; D-2,3-dihydroxypropionaldehyde; D-aldotriose; D-glyceraldehyde; D-glycerose; Glyceraldehyde, D-; J-502403; Propanal, 2,3-dihydroxy-, (2R)-; Propanal, 2,3-dihydroxy-, (r)-; PubChem6338; Triose; (2R)-2,3-DIHYDROXYPROPANAL; (R)-2,3-Dihydroxypropanal; (R)-glyceraldehyde; (R);-2,3-Dihydroxypropanal; 41A680M0WB; 453-17-8; AC1L2WGP; AC1Q6A7Z; AK122382; EINECS 207-217-1; NSC 91534; Propanal, 2,3-dihydroxy-, (R)- (9CI); UNII-41A680M0WB; bmse000298
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 90.08
  Logarithm of the Partition Coefficient (xlogp); -1.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C3H6O3
  IUPAC Name: (2R)-2,3-dihydroxypropanal
  Canonical SMILES: C(C(C=O)O)O
  InChI: MNQZXJOMYWMBOU-VKHMYHEASA-N
  InChIKey: 1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
• Cross-matching ID:
  PubChem CID: 79014
  ChEBI ID: CHEBI:17378
  CAS Number: 497-09-6
  DrugBank ID: DB02536
  INTEDE ID: DR2085

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Triokinase/FMN cyclase (TKFC) Main DME	DEX9ZJQ	TKFC_HUMAN	Substrate	[1]

References

• [1] Bifunctional homodimeric triokinase/FMN cyclase: contribution of protein domains to the activities of the human enzyme and molecular dynamics simulation of domain movements. J Biol Chem. 2014 Apr 11;289(15):10620-36.