Marvin  06271110002D          

  7  6  0  0  1  0            999 V2000
   -0.2028   -0.3541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5122    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9178    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -1.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2271   -0.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087    0.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9212    0.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
M  END
> <ID>
CHEBI:27821

> <NAME>
(S)-methylmalonaldehydic acid

> <DEFINITION>
A 2-methyl-3-oxopropanoic acid that has S-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:427; CHEBI:18789

> <SYNONYM>
(S)-Methylmalonate semialdehyde

> <IUPAC_NAME>
(2S)-2-methyl-3-oxopropanoic acid

> <FORMULA>
C4H6O3

> <MASS>
102.08860

> <MONOISOTOPIC_MASS>
102.03169

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1

> <INCHIKEY>
VOKUMXABRRXHAR-VKHMYHEASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4364493

> <KEGG_COMPOUND_ACCESSION>
C06002

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