Ketcher 01302417532D 1   1.00000     0.00000     0

 12 11  0     1  0            999 V2000
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  6     0  0
  2  4  1  0     0  0
  1  5  2  0     0  0
  1  6  1  0     0  0
  7  6  1  6     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  7 10  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
M  END
> <ID>
CHEBI:229493

> <NAME>
N-L-lactoylcysteine

> <STAR>
2

> <SYNONYM>
L-Lac-Cys

> <FORMULA>
C6H11NO4S

> <MASS>
193.220

> <MONOISOTOPIC_MASS>
193.04088

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H11NO4S/c1-3(8)5(9)7-4(2-12)6(10)11/h3-4,8,12H,2H2,1H3,(H,7,9)(H,10,11)/t3-,4-/m0/s1

> <INCHIKEY>
VPMRTVGJLYJTNF-IMJSIDKUSA-N

$$$$