KEGG   COMPOUND: C14864Help
Entry
C14864                      Compound                               

Name
S-(2-Chloroacetyl)glutathione
Formula
C12H18ClN3O7S
Exact mass
383.0554
Mol weight
383.8052
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
CAS: 
113668-38-5
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1c C    26.4098  -19.8765
            2   C5a C    27.6348  -20.5325
            3   N1b N    25.2314  -20.6080
            4   C1b C    26.4098  -18.4892
            5   N1b N    28.8131  -19.8011
            6   O5a O    27.6987  -22.1284
            7   C5a C    24.0067  -19.9519
            8   S2a S    27.5884  -17.7578
            9   C1b C    30.0380  -20.4570
            10  C1b C    22.8224  -20.6834
            11  O5a O    24.0066  -18.5647
            12  C6a C    31.2164  -19.7200
            13  C1b C    21.6034  -20.0275
            14  O6a O    32.4414  -20.3758
            15  O6a O    31.2222  -18.3324
            16  C1c C    20.4191  -20.7649
            17  C6a C    19.1943  -20.1088
            18  N1a N    20.4656  -22.1522
            19  O6a O    18.0506  -20.8983
            20  O6a O    19.2175  -18.7156
            21  C5a C    27.5444  -16.3805
            22  C1b C    26.2835  -15.7049
            23  O5a O    28.7090  -15.6572
            24  X   Cl   25.0815  -16.4511
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    8  21 1
            21   21  22 1
            22   21  23 2
            23   22  24 1

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