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
Structure
3D MOL 2D MOL
#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
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
InChIKey
MNQZXJOMYWMBOU-VKHMYHEASA-N
Cross-matching ID
PubChem CID
79014
ChEBI ID
CHEMBL17378
CAS Number
497-09-6
UNII
41A680M0WB
DrugBank ID
DB02536
INTEDE ID
DR2085
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.