Ketcher 08221915582D 1   1.00000     0.00000     0

  9  8  0     0  0            999 V2000
   18.6612   -9.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5272   -8.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3933   -9.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2593   -8.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1252   -9.2652    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.5272   -7.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3933  -10.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1252  -10.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9913   -8.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  2  6  2  0     0  0
  3  7  2  0     0  0
  5  8  2  0     0  0
  5  9  1  0     0  0
M  CHG  2   1  -1   9  -1
M  END
> <ID>
CHEBI:140699

> <NAME>
3-sulfinatopyruvate(2-)

> <DEFINITION>
A 2-oxo monocarboxylic acid anion  obtained by deprotonation of the carboxy and sulfino groups of 3-sulfinylpyruvic acid. Major microspecies at pH 7.3.

> <STAR>
3

> <SYNONYM>
3-sulfinopyruvate; 3-sulfinatopyruvate

> <IUPAC_NAME>
2-oxo-3-sulfinatopropanoate

> <FORMULA>
C3H2O5S

> <MASS>
150.110

> <MONOISOTOPIC_MASS>
149.96339

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-2

> <INCHIKEY>
JXYLQEMXCAAMOL-UHFFFAOYSA-L

$$$$