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

General Information of Drug (ID: DR2516)
Drug Name
Methylglyoxal
Synonyms
Acetylformyl; Glyoxal, methyl; METHYL GLYOXAL; Propanal, 2-oxo-; Propanedione; Propanolone; Propionaldehyde, 2-keto; Propionaldehyde, 2-oxo-; Pyroracemic aldehyde; acetylformaldehyde; alpha-Ketopropionaldehyde; alpha-Ketopropionic aldehyde; methyl-glyoxal; methylglyoxal; pyruvaldehyde; pyruvic aldehyde; 1,2-Propanedione; 1-Ketopropionaldehyde; 2-Ketopropionaldehyde; 2-Oxopropanal; 2-Oxopropionaldehyde; 2-oxo-Propionaldehyde; 2-oxo-propanal; 78-98-8; Acetalformaldehyde; CCRIS 1741; CH3COCHO; FEMA No. 2969; NSC 626580; NSC 79019
Indication Alzheimer disease [ICD11: 8A20] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 72.06 Topological Polar Surface Area 34.1
Heavy Atom Count 5 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
880
ChEBI ID
CHEBI:17158
CAS Number
78-98-8
Formula
C3H4O2
Canonical SMILES
CC(=O)C=O
InChI
1S/C3H4O2/c1-3(5)2-4/h2H,1H3
InChIKey
AIJULSRZWUXGPQ-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
D-lactaldehyde DM003898
439350
Unclear 1 [2]
HTA DM003892
128564
Unclear 1 [2]
L-lactaldehyde DM003897
439231
Unclear 1 [2]
PYR DM000331
107735
Unclear 1 [2]
L-lactate DM003895
5460161
Unclear 2 [2]
PYR DM000331
107735
Unclear 2 [2]
SLG DM003893
26757
Unclear 2 [2]
D-lactate DM003894
61503
Unclear 3 [2]
Glutathione DM003449
124886
Unclear 3 [2]
PYR DM000331
107735
Unclear 4 [2]
L-lactate DM003895
5460161
Unclear 5 [2]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004253 Methylglyoxal HTA Unclear Unclear [2]
MR004259 Methylglyoxal L-lactaldehyde Unclear MER [2]
MR004261 Methylglyoxal D-lactaldehyde Unclear ALDH1A1 [2]
MR004263 Methylglyoxal Pyruvate Unclear MED [2]
MR004262 D-lactaldehyde Pyruvate Unclear ldhA [2]
MR004254 HTA SLG Unclear GLO1 [2]
MR004260 L-lactaldehyde L-lactate Unclear ALDH2 [2]
MR004255 SLG D-lactate Unclear HAGH [2]
MR004258 SLG GSH Unclear Unclear [2]
MR004256 D-lactate Pyruvate Unclear ldhA [2]
MR004257 Pyruvate L-lactate Unclear ldh [2]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde dehydrogenase 1 (ALDH1) DME0286 Homo sapiens
AL1A1_HUMAN
1.2.1.36
[2]
Aldehyde dehydrogenase 2 (ALDH2) DME0077 Homo sapiens
ALDH2_HUMAN
1.2.1.3
[2]
D-Lactate dehydrogenase (ldhA) DME1116 Megasphaera elsdenii
A0A1C7BXR3_PSEAI
1.1.1.28
[2]
Hydroxyacylglutathione hydrolase (HAGH) DME0603 Homo sapiens
GLO2_HUMAN
3.1.2.6
[3]
L-Lactate dehydrogenase (ldh) DME1512 Lactobacillus casei
LDH_LACCA
1.1.1.27
[2]
Lactoylglutathione lyase (GLO1) DMEN170 Homo sapiens
LGUL_HUMAN
4.4.1.5
[2]
methylglyoxal dehydrogenase (MED) DMEN172 Bacteroides fragilis Not Available Not Available [2]
methylglyoxal reductase (MER) DMEN171 Bacteroides fragilis Not Available Not Available [2]
⏷ Show the Full List of 8  DME(s)
References
1 Role of methylglyoxal in Alzheimer's disease. Biomed Res Int. 2014;2014:238485.
2 Cells producing their own nemesis: understanding methylglyoxal metabolism
3 Weak association of glyoxalase 1 (GLO1) variants with autism spectrum disorder. Eur Child Adolesc Psychiatry. 2015 Jan;24(1):75-82.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.