Showing Metabocard for methylglyoxal (BASm0000862)

Common Name

Methylglyoxal

Description

Pyruvaldehyde is an organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals.

Structure

Molecular Formula

C₃H₄O₂

Average Mass

72.06270

Monoisotopic Mass

72.02113

IUPAC Name

2-oxopropanal

Traditional Name

Pyruvoyl group

CAS Registry Number

78-98-8

SMILES

CC(=O)C=O

InChI Identifier

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

InChI Key

AIJULSRZWUXGPQ-UHFFFAOYSA-N

CHEBI ID

CHEBI:17158

HMDB ID

HMDB0001167

Pathways

Name	SMPDB/PathBank
Glycine, serine and threonine metabolism
Pyruvate metabolism
Dihydropyrimidine Dehydrogenase Deficiency (DHPD)
Leigh Syndrome
Pyruvate Dehydrogenase Complex Deficiency
Non Ketotic Hyperglycinemia
Dimethylglycine Dehydrogenase Deficiency
Sarcosinemia
Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency)
Spermidine and Spermine Biosynthesis
Pyruvaldehyde Degradation
Dimethylglycine Dehydrogenase Deficiency
Hyperglycinemia, non-ketotic
Primary hyperoxaluria II, PH2
Pyruvate kinase deficiency
3-Phosphoglycerate dehydrogenase deficiency

State

Solid

Water Solubility

1.80e+02 g/l

logP

-0.38

logS

0.40

pKa (Strongest Acidic)

16.38

pKa (Strongest Basic)

-8.02

Hydrogen Acceptor Count

Hydrogen Donor Count

Polar Surface Area

34.14 Å²

Rotatable Bond Count

Physiological Charge

Formal Charge

Refractivity

17.05 m³·mol⁻¹

Polarizability

6.44

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