KEGG   COMPOUND: C14868Help
Entry
C14868                      Compound                               

Name
S-(1,2-Dichlorovinyl)glutathione;
DCVG
Formula
C12H17Cl2N3O6S
Exact mass
401.0215
Mol weight
402.2509
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
Other DBs
PubChem: 17395866
ChEBI: 34957
NIKKAJI: J1.095.308A
KCF data Show

ATOM        24
            1   C1c C    27.2619  -21.1166
            2   C5a C    28.4987  -21.7350
            3   N1b N    26.0938  -21.8037
            4   C1b C    27.2619  -19.7423
            5   N1b N    29.6669  -21.0479
            6   O5a O    28.4974  -23.3154
            7   C5a C    24.9257  -21.1853
            8   S2a S    28.4300  -19.0552
            9   C1b C    30.8350  -21.6663
            10  C1b C    23.7575  -21.8724
            11  O5a O    24.9257  -19.8110
            12  C6a C    32.0031  -20.9791
            13  C1b C    22.5894  -21.2540
            14  O6a O    33.1712  -21.5976
            15  O6a O    32.0031  -19.6049
            16  C1c C    21.4213  -22.0098
            17  C6a C    20.1844  -21.3227
            18  N1a N    21.4213  -23.3154
            19  O6a O    19.0850  -22.1473
            20  O6a O    20.1832  -19.9484
            21  C2c C    29.1172  -17.1312
            22  C2b C    30.4914  -17.1312
            23  X   Cl   28.4300  -15.8944
            24  X   Cl   31.1786  -18.2993
BOND        23
            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   21  22 2
            21   21   8 1
            22   21  23 1
            23   22  24 1

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