Marvin  08131016032D          

 23 22  0  0  1  0            999 V2000
   13.4690  -17.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7544  -17.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0400  -17.6913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3255  -17.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6110  -17.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8965  -17.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1821  -17.6913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676  -17.2788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7531  -17.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0386  -17.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3241  -17.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096  -17.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951  -17.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096  -16.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531  -18.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676  -16.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1821  -16.0413    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1821  -15.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8965  -14.8038    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    9.8965  -16.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7544  -16.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0400  -18.5163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676  -14.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  9 15  2  0  0  0  0
  8 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 22  1  1  0  0  0
 18 23  2  0  0  0  0
M  END
> <ID>
CHEBI:18126

> <NAME>
S-acylglutathione

> <DEFINITION>
Any glutathione carrying an S-acyl substituent.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22032; CHEBI:8943; CHEBI:12756

> <SYNONYM>
S-acylglutathiones; S-acylglutathiones; S-Acylglutathione

> <FORMULA>
C11H16N3O7SR

> <MASS>
334.32600

> <MONOISOTOPIC_MASS>
334.07090

> <CHARGE>
0

> <SMILES>
N[C@@H](CCC(=O)N[C@@H](CSC([*])=O)C(=O)NCC(O)=O)C(O)=O

> <KEGG_COMPOUND_ACCESSION>
C02589

$$$$