Ketcher 01172011142D 1   1.00000     0.00000     0

 20 19  0     1  0            999 V2000
   12.5540  -26.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6879  -27.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8220  -26.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8220  -25.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9560  -25.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0899  -25.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9562  -24.1295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8222  -23.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8222  -22.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6881  -24.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4202  -24.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2863  -23.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2863  -22.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1522  -24.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6880  -28.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8219  -28.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5539  -28.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6881  -22.1294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6     0  0
  2  3  1  0     0  0
  2 17  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  1     0  0
  8 10  1  0     0  0
  9 20  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
 17 18  2  0     0  0
 17 19  1  0     0  0
M  END
> <ID>
CHEBI:16856

> <NAME>
glutathione

> <DEFINITION>
A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42873; CHEBI:43049; CHEBI:5437; CHEBI:12402; CHEBI:14327; CHEBI:24334

> <SYNONYM>
Reduced glutathione; N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine; GSH; Glutathione-SH; Glutathione; gamma-L-Glutamyl-L-cysteinyl-glycine; 5-L-Glutamyl-L-cysteinylglycine

> <IUPAC_NAME>
L-gamma-glutamyl-L-cysteinylglycine

> <FORMULA>
C10H17N3O6S

> <MASS>
307.320

> <MONOISOTOPIC_MASS>
307.08381

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

> <INCHIKEY>
RWSXRVCMGQZWBV-WDSKDSINSA-N

> <CAS_REGISTRY_NUMBER>
70-18-8

> <REAXYS_REGISTRY_NUMBER>
1729812

> <CHEMIDPLUS>
70-18-8

> <DRUGBANK_ACCESSION>
DB00143

> <KEGG_COMPOUND_ACCESSION>
C00051

> <KEGG_DRUG_ACCESSION>
D00014

> <KNAPSACK_ACCESSION>
C00001518

> <METACYC_ACCESSION>
GLUTATHIONE

> <PDBECHEM_ACCESSION>
GSH

> <WIKIPEDIA_ACCESSION>
Glutathione

> <PUBMED_CITATION>
10577998; 1362956; 14988435; 16112416; 16316931; 16391576; 16404476; 16621738; 16650398; 16780237; 16877380; 17439666; 19580823; 4200890; 4745654; 8207209

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