methylglyoxal   Click here for help

GtoPdb Ligand ID: 6303

Synonyms: acetylformaldehyde | pyruvaldehyde
Comment: Methylglyoxal is a reduced derivative of pyruvic acid. It occurs naturally, and at increased levels in diabetics as a result of their increased blood glucose levels.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 34.14
Molecular weight 72.02
XLogP -0.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=CC(=O)C
Isomeric SMILES O=CC(=O)C
InChI InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
InChI Key AIJULSRZWUXGPQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2-Oxopropanal
Synonyms Click here for help
acetylformaldehyde | pyruvaldehyde
Database Links Click here for help
CAS Registry No. 78-98-8 (source: SciFinder)
ChEBI CHEBI:17158
ChEMBL Ligand CHEMBL170721
GtoPdb PubChem SID 178102922
PubChem CID 880
Search Google for chemical match using the InChIKey AIJULSRZWUXGPQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AIJULSRZWUXGPQ
Search UniChem for chemical match using the InChIKey AIJULSRZWUXGPQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AIJULSRZWUXGPQ
Wikipedia Methylglyoxal