Marvin  11140617042D          

  8  7  0  0  1  0            999 V2000
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  7  1  0  0  0  0
  2  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:17740

> <NAME>
3-oxoalanine

> <DEFINITION>
A non-proteinogenic α-amino acid that is serine in which the alcoholic hydroxy group has been formally oxidised to the corresponding formyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11523

> <SYNONYM>
FGly; C(alpha)-formylglycine; C-formylglycine; C(alpha)-formylglycine; alpha-formylglycine

> <IUPAC_NAME>
3-oxoalanine; 2-amino-3-oxopropanoic acid

> <FORMULA>
C3H5NO3

> <MASS>
103.07674

> <MONOISOTOPIC_MASS>
103.02694

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)

> <INCHIKEY>
XMTCKNXTTXDPJX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4366399

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