KEGG   RPAIR: RP11391Help
Entry
RP11391                     RPair                                  

Name
C02331_C11062
Compound
C02331  
Vinylacetyl-CoA
C11062  
4-Hydroxybutyryl-CoA
Type
main
RDM
2
1     C2b-C1b:*-*:C1b+C2a-C1b+C1b
2     C2a-C1b:*-O1a:C2b-C1b
RClass
Reaction
KCF data Show

ALIGN       53
            1     1:N4y   1:N4y
            2     2:C1y   2:C1y
            3     3:C8y   3:C8y
            4     4:C8x   4:C8x
            5     5:C1y   5:C1y
            6     6:O2x   6:O2x
            7     7:C8y   7:C8y
            8     8:N5x   8:N5x
            9     9:N5x   9:N5x
            10   10:C1y  10:C1y
            11   11:O1a  11:O1a
            12   12:C1y  12:C1y
            13   13:C8y  13:C8y
            14   14:C8x  14:C8x
            15   15:O2b  15:O2b
            16   16:C1b  16:C1b
            17   17:N5x  17:N5x
            18   18:N1a  18:N1a
            19   19:P1b  19:P1b
            20   20:O2b  20:O2b
            21   21:O1c  21:O1c
            22   22:O1c  22:O1c
            23   23:O1c  23:O1c
            24   24:P1b  24:P1b
            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
            50   50:C1b  50:C1b #M1
            51   51:O5a  51:O5a
            52   52:C2b  52:C1b #R1 #M2
            53   53:C2a  53:C1b #R2 #M1
            -       *    54:O1a #D2
ENTRY1      
 COMPOUND  C02331
 ATOM      53
            1   N4y N     0.7862    2.1931
            2   C1y C    -0.0966    1.5931
            3   C8y C     2.1172    2.1931
            4   C8x C     0.7862    2.9621
            5   C1y C    -0.3345    0.8793
            6   O2x O    -0.7345    2.0483
            7   C8y C     2.1172    2.9621
            8   N5x N     2.7793    1.8069
            9   N5x N     1.4517    3.3517
            10  C1y C    -1.1069    0.8793
            11  O1a O     0.1172    0.2586
            12  C1y C    -1.3552    1.6035
            13  C8y C     2.7793    3.3448
            14  C8x C     3.4448    2.1931
            15  O2b O    -1.5586    0.2552
            16  C1b C    -2.0655    1.8310
            17  N5x N     3.4448    2.9621
            18  N1a N     2.7759    4.0966
            19  P1b P    -2.3103    0.3345
            20  O2b O    -3.1069    1.3345
            21  O1c O    -2.2517    1.0586
            22  O1c O    -3.0552    0.3172
            23  O1c O    -2.3138   -0.4310
            24  P1b P    -4.3207    1.3241
            25  O2c O    -4.3241   -0.3379
            26  O1c O    -4.3310    2.0655
            27  O1c O    -5.0862    1.3345
            28  P1b P    -4.3241   -1.8414
            29  O2b O    -3.5310   -1.8276
            30  O1c O    -4.3172   -2.5931
            31  O1c O    -5.0897   -1.8310
            32  C1b C    -2.8759   -1.4483
            33  C1d C    -2.2172   -1.8276
            34  C1c C    -1.5586   -1.4448
            35  C1a C    -2.2172   -2.5931
            36  C1a C    -2.2241   -0.9897
            37  C5a C    -0.8931   -1.8276
            38  O1a O    -1.5621   -0.6828
            39  N1b N    -0.2379   -1.4448
            40  O5a O    -0.8931   -2.5931
            41  C1b C     0.4241   -1.8276
            42  C1b C     1.0793   -1.4448
            43  C5a C     1.7414   -1.8276
            44  N1b N     2.4069   -1.4448
            45  O5a O     1.7414   -2.5931
            46  C1b C     3.0621   -1.8276
            47  C1b C     3.7172   -1.4448
            48  S2a S     4.3793   -1.8276
            49  C5a C     5.0379   -1.4448
            50  C1b C     5.7000   -1.8276
            51  O5a O     5.0379   -0.6828
            52  C2b C     6.3517   -1.4448
            53  C2a C     7.0138   -1.8276
 BOND      55
            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    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            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 2
            53    7   9 1
            54   10  12 1
            55   14  17 1
ENTRY2      
 COMPOUND  C11062
 ATOM      54
            1   N4y N    15.8135  -12.6826
            2   C1y C    14.9300  -13.2853
            3   C8y C    17.1520  -12.6826
            4   C8x C    15.8135  -11.9165
            5   C1y C    14.6930  -13.9976
            6   O2x O    14.2916  -12.8263
            7   C8y C    17.1520  -11.9165
            8   N5x N    17.8123  -13.0675
            9   N5x N    16.4807  -11.5278
            10  C1y C    13.9177  -13.9976
            11  O1a O    15.1423  -14.6237
            12  C1y C    13.6669  -13.2743
            13  C8y C    17.8123  -11.5306
            14  C8x C    18.4794  -12.6826
            15  O2b O    13.4642  -14.6237
            16  C1b C    12.9621  -13.0442
            17  N5x N    18.4794  -11.9165
            18  N1a N    17.8123  -10.7785
            19  P1b P    12.7128  -14.5483
            20  O2b O    11.9156  -13.5442
            21  O1c O    12.7720  -13.8196
            22  O1c O    11.9677  -14.5607
            23  O1c O    12.7100  -15.3127
            24  P1b P    10.6918  -13.5552
            25  O2c O    10.6889  -15.2210
            26  O1c O    10.6861  -12.8086
            27  O1c O     9.9312  -13.5442
            28  P1b P    10.6889  -16.7306
            29  O2b O    11.4903  -16.7142
            30  O1c O    10.7030  -17.4827
            31  O1c O     9.9283  -16.7196
            32  C1b C    12.1439  -16.3347
            33  C1d C    12.8044  -16.7142
            34  C1c C    13.4642  -16.3292
            35  C1a C    12.8044  -17.4827
            36  C1a C    12.8015  -15.8757
            37  C5a C    14.1313  -16.7142
            38  O1a O    13.4587  -15.5703
            39  N1b N    14.7861  -16.3292
            40  O5a O    14.1313  -17.4827
            41  C1b C    15.4519  -16.7142
            42  C1b C    16.1067  -16.3292
            43  C5a C    16.7725  -16.7142
            44  N1b N    17.4396  -16.3292
            45  O5a O    16.7725  -17.4827
            46  C1b C    18.0944  -16.7142
            47  C1b C    18.7547  -16.3292
            48  S2a S    19.4150  -16.7142
            49  C5a C    20.0808  -16.3292
            50  C1b C    20.7411  -16.7142
            51  O5a O    20.0808  -15.5703
            52  C1b C    21.3917  -16.3292
            53  C1b C    22.0575  -16.7142
            54  O1a O    22.7238  -16.3301
 BOND      56
            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    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            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
            56   53  54 1

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