KEGG   RPAIR: RP09820Help
Entry
RP09820                     RPair                                  

Name
C00136_C12356
Compound
C00136  
Butanoyl-CoA
C12356  
3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]
Type
main
RDM
1
1     C5a-C5a:S2a+*-*+C1b:C1b+O5a-C1b+O5a
RClass
Related pair
Reaction
Enzyme
2.3.1.-
KCF data Show

ALIGN       5
            1    49:C5a   4:C5a #R1
            2    50:C1b   3:C1b #M1
            3    51:O5a   8:O5a #M1
            4    52:C1b  33:C1b
            5    53:C1a  34:C1a
            -    48:S2a     *   #D1
            -       *     5:C1b #D1
ENTRY1      
 COMPOUND  C00136
 ATOM      53
            1   N4y N    -0.7724    2.1586
            2   C1y C     0.1000    1.5690
            3   C8y C    -2.0862    2.1586
            4   C8x C    -0.7724    2.9172
            5   C1y C     0.3276    0.8655
            6   O2x O     0.7207    2.0172
            7   C8y C    -2.0862    2.9172
            8   N5x N    -2.7345    1.7759
            9   N5x N    -1.4276    3.3000
            10  C1y C     1.0931    0.8655
            11  O1a O    -0.1138    0.2586
            12  C1y C     1.3310    1.5793
            13  C8y C    -2.7345    3.2931
            14  C8x C    -3.3931    2.1586
            15  O2b O     1.5310    0.2552
            16  C1b C     2.0345    1.8000
            17  N5x N    -3.3931    2.9172
            18  N1a N    -2.7310    4.0414
            19  P1b P     2.2759    0.3310
            20  O2b O     3.0586    1.3138
            21  O1c O     2.2172    1.0448
            22  O1c O     3.0069    0.3138
            23  O1c O     2.2793   -0.4241
            24  P1b P     4.2552    1.3035
            25  O2c O     4.2586   -0.3310
            26  O1c O     4.2655    2.0345
            27  O1c O     5.0103    1.3138
            28  P1b P     4.2586   -1.8138
            29  O2b O     3.4793   -1.8000
            30  O1c O     4.2517   -2.5517
            31  O1c O     5.0138   -1.8035
            32  C1b C     2.8310   -1.4276
            33  C1d C     2.1828   -1.8000
            34  C1c C     1.5310   -1.4241
            35  C1a C     2.1828   -2.5517
            36  C1a C     2.1897   -0.9724
            37  C5a C     0.8828   -1.8000
            38  O1a O     1.5345   -0.6759
            39  N1b N     0.2345   -1.4241
            40  O5a O     0.8828   -2.5517
            41  C1b C    -0.4172   -1.8000
            42  C1b C    -1.0655   -1.4241
            43  C5a C    -1.7138   -1.8000
            44  N1b N    -2.3655   -1.4241
            45  O5a O    -1.7138   -2.5517
            46  C1b C    -3.0138   -1.8000
            47  C1b C    -3.6621   -1.4241
            48  S2a S    -4.3138   -1.8000
            49  C5a C    -4.9621   -1.4241
            50  C1b C    -5.6103   -1.8000
            51  O5a O    -4.9621   -0.6759
            52  C1b C    -6.2621   -1.4241
            53  C1a C    -6.9103   -1.8000
 BOND      55
            1     2   1 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   12  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 1
            53    7   9 1
            54   10  12 1
            55   14  17 1
ENTRY2      
 COMPOUND  C12356
 ATOM      34
            1   S2a S    38.6402   -5.1655
            2   C1b C    36.5110   -5.1655
            3   C1b C    28.0000   -5.1875
            4   C5a C    28.5333   -4.8792
            5   C1b C    29.0625   -5.1833
            6   C5a C    29.5958   -4.8750
            7   O5a O    29.5940   -4.2583
            8   O5a O    28.5315   -4.2625
            9   C1b C    30.1250   -5.1792
            10  C5a C    30.6583   -4.8708
            11  C1b C    31.1917   -5.1792
            12  C5a C    31.7250   -4.8667
            13  C1b C    32.2542   -5.1750
            14  C5a C    32.7833   -4.8667
            15  C1b C    33.3208   -5.1708
            16  O5a O    30.6565   -4.2542
            17  O5a O    31.7232   -4.2542
            18  O5a O    32.7815   -4.2500
            19  C5a C    33.8500   -4.8625
            20  C1b C    34.3833   -5.1708
            21  C5a C    34.9125   -4.8583
            22  C1b C    35.4458   -5.1667
            23  C5a C    35.9792   -4.8583
            24  O5a O    33.8482   -4.2458
            25  O5a O    34.9107   -4.2458
            26  O5a O    35.9774   -4.2417
            27  C5a C    37.0375   -4.8542
            28  C1b C    37.5708   -5.1625
            29  C5a C    38.1000   -4.8542
            30  O5a O    37.0397   -4.2375
            31  O5a O    38.1006   -4.2375
            32  R   R    39.1667   -4.8542
            33  C1b C    27.4694   -4.8816
            34  C1a C    26.9391   -5.1881
 BOND      33
            1    15  19 1
            2    10  11 1
            3    19  20 1
            4     6   7 2
            5    20  21 1
            6    11  12 1
            7    21  22 1
            8     4   5 1
            9    22  23 1
            10   23   2 1
            11   12  13 1
            12   19  24 2
            13    4   8 2
            14   21  25 2
            15   13  14 1
            16   23  26 2
            17    3   4 1
            18    2  27 1
            19   14  15 1
            20   27  28 1
            21    6   9 1
            22   28  29 1
            23   29   1 1
            24   10  16 2
            25   27  30 2
            26    5   6 1
            27   29  31 2
            28   12  17 2
            29    1  32 1
            30    9  10 1
            31    3  33 1
            32   14  18 2
            33   33  34 1

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