Ketcher 07051609522D 1   1.00000     0.00000     0

 17 16  0     0  0            999 V2000
    3.8170   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8170   -6.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5491   -5.1500    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830   -3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -3.6500    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -6.6501    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189   -7.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8170   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8170   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830   -7.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5491   -8.1500    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
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  9 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
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 13 16  1  0     0  0
 13 17  2  0     0  0
M  END
> <ID>
CHEBI:132411

> <NAME>
Cys-Ser thioether

> <STAR>
2

> <FORMULA>
C7H10N2O3S

> <MASS>
202.041

> <MONOISOTOPIC_MASS>
202.04121

> <CHARGE>
0

> <SMILES>
C(C(*)=O)(N*)CSC(CO)C(C(*)=O)N*

> <PUBMED_CITATION>
21760885

$$$$