(2S)-2-amino-3-oxopropanoate
  Marvin  01131115232D          

  8  7  0  0  0  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  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  5  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
   -1.4290   -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  1  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:58671

> <NAME>
L-3-oxoalaninate

> <DEFINITION>
An L-amino acid anion, being the conjugate base of L-3-oxoalanine.

> <STAR>
3

> <SYNONYM>
L-alpha-formylglycinate

> <IUPAC_NAME>
3-oxo-L-alaninate; (2S)-2-amino-3-oxopropanoate

> <FORMULA>
C3H4NO3

> <MASS>
102.06880

> <MONOISOTOPIC_MASS>
102.01967

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)/p-1/t2-/m0/s1

> <INCHIKEY>
XMTCKNXTTXDPJX-REOHCLBHSA-M

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