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

General Information of Drug (ID: DR2085)
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
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
79014
ChEBI ID
CHEBI:17378
CAS Number
497-09-6
Formula
C3H6O3
Canonical SMILES
C(C(C=O)O)O
InChI
1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
InChIKey
MNQZXJOMYWMBOU-VKHMYHEASA-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
D-glyceraldehyde-3-P DM002136
439168
Unclear 1 [2]
D-Glyceric acid DM004149
439194
Oxidation - Oxidationn 1 [2]
Glycerol DM003830
753
Reduction - Reduction 1 [2]
D-Glyceric acid-1,3-P DM004151 N. A. Hydrolysis - Hydrolyzation 2 [2]
D-Glyceric acid-3-P DM004150 N. A. Unclear 2 [2]
Dihydroxyacetone-3-P DM004153 N. A. Unclear 2 [2]
L-glycerol-3-P DM004154 N. A. Hydrolysis - Hydrolyzation 2 [2]
D-Glyceric acid-1,3-P DM004151 N. A. Unclear 3 [2]
Dihydroxyacetone-3-P DM004153 N. A. Unclear 3 [2]
L-glycerol-3-P DM004154 N. A. Unclear 3 [2]
D-glyceraldehyde-3-P DM002136
439168
Unclear 4 [2]
Dihydroxyacetone-3-P DM004153 N. A. Unclear 5 [2]
D-glyceraldehyde-3-P DM002136
439168
Unclear 6 [2]
L-glycerol-3-P DM004154 N. A. Hydrolysis - Hydrolyzation 6 [2]
⏷ Show the Full List of 14  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004546 D-glyceraldehyde D-Glyceric acid Oxidation - Oxidationn Unclear [2]
MR004552 D-glyceraldehyde Glycerol Reduction - Reduction GADH ... [2]
MR004556 D-glyceraldehyde D-glyceraldehyde-3-P Unclear Unclear [2]
MR004557 D-glyceraldehyde-3-P D-Glyceric acid-1,3-P Hydrolysis - Hydrolyzation Pase [2]
MR004547 D-Glyceric acid D-Glyceric acid-3-P Unclear Unclear [2]
MR004553 Glycerol L-Glycerol-3-P Hydrolysis - Hydrolyzation Pase [2]
MR004548 D-Glyceric acid-3-P D-Glyceric acid-1,3-P Unclear Unclear [2]
MR004554 L-Glycerol-3-P Dihydroxyacetone-3-P Unclear Unclear [2]
MR004549 D-Glyceric acid-1,3-P D-glyceraldehyde-3-P Unclear Unclear [2]
MR004555 Dihydroxyacetone-3-P D-glyceraldehyde-3-P Unclear Unclear [2]
MR004550 D-glyceraldehyde-3-P Dihydroxyacetone-3-P Unclear Unclear [2]
MR004551 Dihydroxyacetone-3-P L-glycerol-3-P Hydrolysis - Hydrolyzation Pase [2]
⏷ Show the Full List of 12 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
glyceraldehyde hydrogenase (GADH) DMEN215 Bacteroides fragilis Not Available Not Available [2]
NADH-dependent dehydrogenase (NDDH) DMEN216 Bacteroides fragilis Not Available Not Available [2]
phosphatase (Pase) DMEN214 Bacteroides fragilis Not Available Not Available [2]
Triokinase/FMN cyclase (TKFC) DME0470 Homo sapiens
TKFC_HUMAN
4.6.1.15
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Triokinase/FMN cyclase (TKFC) DME0470 Km = 0.0071 microM
TKFC_HUMAN
[3]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB02536)
2 Metabolism of D- and L-glyceraldehyde in adipose tissue: a stereochemical probe for glycerokinase activity
3 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.

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