ChEBI
  Marvin  05290916322D          

  7  6  0  0  0  0            999 V2000
    6.6581   -3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443   -3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581   -2.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3718   -3.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443   -4.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2306   -3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2306   -2.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  1  2  0  0  0  0
  6  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
> <ID>
CHEBI:16256

> <NAME>
2-methyl-3-oxopropanoic acid

> <DEFINITION>
The 2-methyl-3-oxo derivative of propanoic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19682; CHEBI:11610; CHEBI:1193; CHEBI:11609

> <SYNONYM>
Methylmalonate semialdehyde; 3-oxo-2-methylpropanoate; 3-Oxo-2-methylpropanoate; 2-Methyl-3-oxopropanoate

> <IUPAC_NAME>
2-methyl-3-oxopropanoic acid

> <FORMULA>
C4H6O3

> <MASS>
102.08860

> <MONOISOTOPIC_MASS>
102.03169

> <CHARGE>
0

> <SMILES>
CC(C=O)C(O)=O

> <INCHI>
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)

> <INCHIKEY>
VOKUMXABRRXHAR-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C00349

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