2-oxo-3-sulfanylpropanoate
  CDK    2/12/10,15:26

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.4289   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  6  2  2  0  0  0  0 
  3  2  1  0  0  0  0 
  7  3  2  0  0  0  0 
  4  3  1  0  0  0  0 
  5  4  1  0  0  0  0 
M  CHG  1   1  -1
M  END
> <ID>
CHEBI:57678

> <NAME>
3-mercaptopyruvate

> <DEFINITION>
The conjugate base of 3-mercaptopyruvic acid.

> <STAR>
3

> <SYNONYM>
2-oxo-3-sulfanylpropanoate

> <IUPAC_NAME>
2-oxo-3-sulfanylpropanoate

> <FORMULA>
C3H3O3S

> <MASS>
119.11900

> <MONOISOTOPIC_MASS>
118.98084

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)C(=O)CS

> <INCHI>
InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)/p-1

> <INCHIKEY>
OJOLFAIGOXZBCI-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3933339

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