KEGG   RPAIR: RP10277Help
Entry
RP10277                     RPair                                  

Name
C14859_C14864
Compound
C14859  
Chloroacetyl chloride
C14864  
S-(2-Chloroacetyl)glutathione
Type
main
RDM
1
1     C5a-C5a:X+*-*+S2a:C1b+O5a-C1b+O5a
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       4
            1     1:X    24:X  
            2     2:C1b  22:C1b #M1
            3     3:C5a  21:C5a #R1
            4     4:O5a  23:O5a #M1
            -     5:X       *   #D1
            -       *     8:S2a #D1
ENTRY1      
 COMPOUND  C14859
 ATOM      5
            1   X   Cl   23.4124  -18.8853
            2   C1b C    24.6193  -19.5821
            3   C5a C    25.8268  -18.8849
            4   O5a O    27.0550  -19.5943
            5   X   Cl   25.8270  -17.5000
 BOND      4
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     3   5 1
ENTRY2      
 COMPOUND  C14864
 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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