KEGG   RPAIR: RP08298Help
Entry
RP08298                     RPair                                  

Name
C00024_C05267
Compound
C00024  
Acetyl-CoA
C05267  
3-Oxooctanoyl-CoA
Type
main
RDM
1
1     C1a-C1b:*-C5a:C5a-C5a
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       51
            1     1:N4y   1:N4y
            2     2:C1y   2:C1y
            3     3:C8y   3:C8y
            4     4:C8x   4:C8x
            5     5:O2x   5:O2x
            6     6:C1y   6:C1y
            7     7:C8y   7:C8y
            8     8:N5x   8:N5x
            9     9:N5x   9:N5x
            10   10:C1y  10:C1y
            11   11:C1y  11:C1y
            12   12:O1a  12:O1a
            13   13:C8y  13:C8y
            14   14:C8x  14:C8x
            15   15:C1b  15:C1b
            16   16:O2b  16:O2b
            17   17:N5x  17:N5x
            18   18:N1a  18:N1a
            19   19:O2b  19:O2b
            20   20:P1b  20:P1b
            21   21:P1b  21:P1b
            22   22:O1c  23:O1c
            23   23:O1c  22:O1c
            24   24:O1c  24:O1c
            25   25:O2c  25:O2c
            26   26:O1c  26:O1c
            27   27:O1c  27:O1c
            28   28:P1b  28:P1b
            29   29:O2b  29:O2b
            30   30:O1c  30:O1c
            31   31:O1c  31:O1c
            32   32:C1b  32:C1b
            33   33:C1d  33:C1d
            34   34:C1c  34:C1c
            35   35:C1a  35:C1a
            36   36:C1a  36:C1a
            37   37:C5a  37:C5a
            38   38:O1a  38:O1a
            39   39:N1b  39:N1b
            40   40:O5a  40:O5a
            41   41:C1b  41:C1b
            42   42:C1b  42:C1b
            43   43:C5a  43:C5a
            44   44:N1b  44:N1b
            45   45:O5a  45:O5a
            46   46:C1b  46:C1b
            47   47:C1b  47:C1b
            48   48:S2a  48:S2a
            49   49:C5a  49:C5a #M1
            50   50:C1a  50:C1b #R1
            51   51:O5a  51:O5a
            -       *    52:C5a #D1
ENTRY1      
 COMPOUND  C00024
 ATOM      51
            1   N4y N     0.7379    1.7724
            2   C1y C     0.0034    1.5345
            3   C8y C     2.0690    1.7724
            4   C8x C     0.7379    2.5483
            5   O2x O    -0.6207    1.9931
            6   C1y C    -0.2379    0.8069
            7   C8y C     2.0724    2.5483
            8   N5x N     2.7345    1.3862
            9   N5x N     1.4034    2.9310
            10  C1y C    -1.2448    1.5345
            11  C1y C    -1.0069    0.8069
            12  O1a O     0.2172    0.1828
            13  C8y C     2.7379    2.9276
            14  C8x C     3.4000    1.7655
            15  C1b C    -1.9793    1.7759
            16  O2b O    -1.4034    0.2172
            17  N5x N     3.4034    2.5414
            18  N1a N     2.7414    3.6931
            19  O2b O    -3.0862    1.2000
            20  P1b P    -2.4207    0.2172
            21  P1b P    -3.8586    1.2000
            22  O1c O    -3.2276    0.2172
            23  O1c O    -2.4207    1.1172
            24  O1c O    -2.4207   -0.5552
            25  O2c O    -3.8448   -0.3483
            26  O1c O    -3.8621    1.9724
            27  O1c O    -4.6276    1.2069
            28  P1b P    -3.8655   -1.7414
            29  O2b O    -3.0897   -1.7414
            30  O1c O    -3.8690   -2.5103
            31  O1c O    -4.6379   -1.7414
            32  C1b C    -2.4276   -1.3517
            33  C1d C    -1.7621   -1.7414
            34  C1c C    -1.1000   -1.3517
            35  C1a C    -1.7621   -2.5103
            36  C1a C    -1.7655   -0.9724
            37  C5a C    -0.4310   -1.7414
            38  O1a O    -1.1000   -0.5862
            39  N1b N     0.2345   -1.3517
            40  O5a O    -0.4310   -2.5103
            41  C1b C     0.8966   -1.7414
            42  C1b C     1.5621   -1.3517
            43  C5a C     2.2276   -1.7414
            44  N1b N     2.8931   -1.3517
            45  O5a O     2.2276   -2.5103
            46  C1b C     3.5552   -1.7414
            47  C1b C     4.2207   -1.3517
            48  S2a S     4.8793   -1.7345
            49  C5a C     5.6103   -1.3345
            50  C1a C     6.3207   -1.7552
            51  O5a O     5.6172   -0.5103
 BOND      53
            1     2   1 1 #Up
            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    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  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    7   9 1
            52   10  11 1
            53   14  17 1
ENTRY2      
 COMPOUND  C05267
 ATOM      58
            1   N4y N     0.0897    2.4310
            2   C1y C    -0.1759    1.3310
            3   C8y C    -1.0207    2.4310
            4   C8x C     0.0931    3.0724
            5   O2x O    -0.7000    1.7103
            6   C1y C    -0.3655    0.7345
            7   C8y C    -1.0207    3.0724
            8   N5x N    -1.5793    2.1069
            9   N5x N    -0.4655    3.3966
            10  C1y C    -1.2172    1.3379
            11  C1y C    -1.0172    0.7345
            12  O1a O     0.0069    0.2207
            13  C8y C    -1.5793    3.3931
            14  C8x C    -2.1276    2.4310
            15  C1b C    -1.8069    1.5241
            16  O2b O    -1.3414    0.2759
            17  N5x N    -2.1276    3.0724
            18  N1a N    -1.5793    4.0276
            19  O2b O    -2.6828    1.1138
            20  P1b P    -2.0138    0.2828
            21  P1b P    -3.6931    1.1035
            22  O1c O    -1.9655    0.8862
            23  O1c O    -2.6345    0.2690
            24  O1c O    -2.0207   -0.3586
            25  O2c O    -3.6931   -0.2414
            26  O1c O    -3.6862    1.7448
            27  O1c O    -4.3310    1.1138
            28  P1b P    -3.6897   -1.5379
            29  O2b O    -3.0276   -1.5241
            30  O1c O    -3.6966   -2.2897
            31  O1c O    -4.3276   -1.5276
            32  C1b C    -2.4793   -1.2103
            33  C1d C    -1.9276   -1.5241
            34  C1c C    -1.3793   -1.2103
            35  C1a C    -1.9379   -2.0897
            36  C1a C    -1.9448   -0.8690
            37  C5a C    -0.8310   -1.5241
            38  O1a O    -1.3793   -0.5724
            39  N1b N    -0.2759   -1.2103
            40  O5a O    -0.8310   -2.1586
            41  C1b C     0.2724   -1.5241
            42  C1b C     0.8207   -1.2103
            43  C5a C     1.3690   -1.5241
            44  N1b N     1.9172   -1.2103
            45  O5a O     1.3690   -2.1586
            46  C1b C     2.4724   -1.5241
            47  C1b C     3.0207   -1.2069
            48  S2a S     3.5690   -1.5241
            49  C5a C     4.1138   -1.2103
            50  C1b C     4.6621   -1.5241
            51  O5a O     4.1138   -0.5793
            52  C5a C     5.2103   -1.2103
            53  C1b C     5.7586   -1.5241
            54  O5a O     5.2103   -0.5793
            55  C1b C     6.3035   -1.2103
            56  C1b C     6.8517   -1.5241
            57  C1b C     7.3966   -1.2103
            58  C1a C     7.9448   -1.5241
 BOND      60
            1     2   1 1 #Up
            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    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  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   52  54 2
            54   53  55 1
            55   55  56 1
            56   56  57 1
            57   57  58 1
            58    7   9 1
            59   10  11 1
            60   14  17 1

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