Marvin  12050721432D          

  6  5  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <ID>
CHEBI:17158

> <NAME>
methylglyoxal

> <DEFINITION>
A 2-oxo aldehyde derived from propanal.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6875; CHEBI:11643; CHEBI:14599; CHEBI:25303

> <SYNONYM>
Pyruvic aldehyde; Pyruvaldehyde; methylglyoxal; Methylglyoxal; CH3COCHO; alpha-ketopropionaldehyde; acetylformyl; acetylformaldehyde; 2-oxopropionaldehyde; 2-Oxopropanal; 2-Ketopropionaldehyde; 1,2-propanedione

> <IUPAC_NAME>
2-oxopropanal

> <FORMULA>
C3H4O2

> <MASS>
72.06266

> <MONOISOTOPIC_MASS>
72.02113

> <CHARGE>
0

> <SMILES>
[H]C(=O)C(C)=O

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

> <INCHIKEY>
AIJULSRZWUXGPQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
906750

> <CAS_REGISTRY_NUMBER>
78-98-8

> <REAXYS_REGISTRY_NUMBER>
906750

> <CHEMIDPLUS>
78-98-8

> <KEGG_COMPOUND_ACCESSION>
C00546

> <KNAPSACK_ACCESSION>
C00007562

> <NIST_CHEMISTRY_WEBBOOK>
78-98-8

> <WIKIPEDIA_ACCESSION>
Methylglyoxal

> <PUBMED_CITATION>
10373458; 10723098; 11504881; 15520007; 17103372; 19202315; 20096340; 22983866; 23543734; 23845007; 24040205; 24168114; 26861824; 9506998

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