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

General Information of Drug (ID: DR1997)
Drug Name
Dl-glyceraldehyde
Synonyms
Aldotriose; D,L-glyceraldehyde; DL-GLYC; DL-Glyceraldehyde; Glyceraldehyde, (+-)-; Glyceric aldehyde; Glycerinaldehyde; Glycerinformal; Glycerose; Propanal, 2,3-dihydroxy-; Propionaldehyde, 2,3-dihydroxy-; U 1188; aldose; glyceraldehyde; (+/-)-Glyceraldehyde; .alpha.,.beta.-Dihydroxypropionaldehyde; 2,3-Dihydroxypropanal; 2,3-Dihydroxypropionaldehyde; 2,3-dihydroxy-propionaldehyde; 367-47-5; 56-82-6; AI3-24475; BRN 0635844; CHEBI:5445; DLG; EINECS 200-290-0; EINECS 206-695-9; NSC 67934; alpha,beta-dihydroxypropionaldehyde
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 90.08 Topological Polar Surface Area 57.5
Heavy Atom Count 6 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
751
ChEBI ID
CHEBI:5445
CAS Number
367-47-5
TTD Drug ID
D09PNQ
Formula
C3H6O3
Canonical SMILES
C(C(C=O)O)O
InChI
1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
InChIKey
MNQZXJOMYWMBOU-UHFFFAOYSA-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
Alpha-ketoaldehydes DM003832 N. A. Unclear 1 [3]
Glyceraldehyde 3-phosphate DM003828
729
Conjugation - Phosphorylation 1 [3]
Glycerol DM003830
753
Unclear 1 [3]
Hydrogen peroxide DM001730
784
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004186 Dl-glyceraldehyde Glyceraldehyde 3-phosphate Conjugation - Phosphorylation Unclear [3]
MR004187 Dl-glyceraldehyde Glycerol Unclear hdl [3]
MR004188 Dl-glyceraldehyde Hydrogen peroxide Unclear Unclear [3]
MR004189 Dl-glyceraldehyde Alpha-ketoaldehydes Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Homo sapiens
AK1A1_HUMAN
1.1.1.2
[2]
L-hexonate dehydrogenase (hdl) DMEN154 Bacteroides fragilis Not Available Not Available [3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Km = 1.7 microM
AK1A1_HUMAN
[2]
References
1 Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10. Proc Natl Acad Sci U S A. 2007 Dec 26;104(52):20764-9.
2 The C-terminal loop of aldehyde reductase determines the substrate and inhibitor specificity. Biochemistry. 1996 Nov 12;35(45):14276-80.
3 The effect of glyceraldehyde on red cells. Haemoglobin status, oxidative metabolism and glycolysis

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