Summary

IMPPAT Phytochemical identifier: IMPHY006942

Phytochemical name: Methylglyoxal

Synonymous chemical names:
methylglyoxal

External chemical identifiers:
CID:880, ChEMBL:CHEMBL170721, ChEBI:17158, ZINC:ZINC000001532681, FDASRS:722KLD7415, SureChEMBL:SCHEMBL47032, MolPort-001-769-006

---

Chemical structure information

SMILES:
O=CC(=O)C

InChI:
InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3

InChIKey:
AIJULSRZWUXGPQ-UHFFFAOYSA-N

DeepSMILES:
O=CC=O)C

Functional groups:
CC(=O)C=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes, Oxygenated hydrocarbons

NP-Likeness score: 1.085

---

Chemical structure download