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 - DNA adducts
Enzyme
Other DBs
PubChem: 17395872
ChEBI: 34777
NIKKAJI: J665.777J
LinkDB
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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