Ketcher 05241910152D 1   1.00000     0.00000     0

 17 16  0     0  0            999 V2000
   18.0588  -14.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9094  -13.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8099  -14.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6604  -13.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5106  -14.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4112  -13.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2616  -14.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1120  -13.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0124  -14.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8630  -13.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9094  -12.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8099  -15.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4112  -12.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1120  -12.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9623  -12.3055    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.0124  -15.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9623  -11.3053    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  2  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  8  7  1  1     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  2 11  2  0     0  0
  3 12  1  6     0  0
  6 13  2  0     0  0
  8 14  1  0     0  0
 14 15  1  0     0  0
  9 16  2  0     0  0
 15 17  1  0     0  0
M  CHG  3   1  -1  10  -1  12   1
M  END
> <ID>
CHEBI:143789

> <NAME>
S-substituted gamma-glutamyl-L-cysteine(1-)

> <STAR>
2

> <SYNONYM>
S-substituted gamma-glutamyl-L-cysteine

> <FORMULA>
C8H12N2O5SR

> <MASS>
248.258

> <MONOISOTOPIC_MASS>
248.04669

> <CHARGE>
-1

> <SMILES>
[O-]C([C@H](CCC(N[C@H](C([O-])=O)CS*)=O)[NH3+])=O

> <METACYC_ACCESSION>
S-Substituted-Glutamyl-Cysteine

> <PUBMED_CITATION>
14975765; 15561184; 19897216

$$$$