KEGG   COMPOUND: C14874
Entry
C14874                      Compound                               

Name
Glutathione episulfonium ion
Formula
C12H20N3O6S
Exact mass
334.1073
Mol weight
334.3687
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
Other DBs
PubChem: 17395872
ChEBI: 34777
NIKKAJI: J665.777J
KCF data

ATOM        22
            1   C1c C    27.6475  -21.3382
            2   C5a C    28.8346  -21.9739
            3   N1b N    26.5056  -22.0470
            4   C1b C    27.6475  -19.9938
            5   N1b N    29.9764  -21.2651
            6   O5a O    28.8265  -23.5204
            7   C5a C    25.3188  -21.4112
            8   S2x S    28.7897  -19.2851 #+
            9   C1b C    31.1634  -21.9007
            10  C1b C    24.1712  -22.1201
            11  O5a O    25.3187  -20.0670
            12  C6a C    32.3053  -21.1865
            13  C1b C    22.9899  -21.4845
            14  O6a O    33.4924  -21.8220
            15  O6a O    32.3110  -19.8419
            16  C1c C    21.8423  -22.1991
            17  C6a C    20.6554  -21.5633
            18  N1a N    21.8874  -23.5434
            19  O6a O    19.5471  -22.3283
            20  O6a O    20.6779  -20.2132
            21  C1x C    29.5454  -17.6475
            22  C1x C    28.1017  -17.6475
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16   16  17 1
            17   16  18 1 #Down
            18   17  19 1
            19   17  20 2
            20    8  21 1
            21    8  22 1
            22   22  21 1

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