KEGG   COMPOUND: C06387Help
Entry
C06387                      Compound                               

Name
4-Chlorobenzoyl-CoA
Formula
C28H39ClN7O17P3S
Exact mass
905.1025
Mol weight
906.0852
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fluorobenzoate degradation
Metabolic pathways
Microbial metabolism in diverse environments
Enzyme
1.21.1.2        3.8.1.7         6.2.1.33
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C8y C    11.8300  -25.4800
            2   C5a C    12.9500  -24.8500
            3   S2a S    14.1400  -25.5500
            4   C1b C    15.3300  -24.8500
            5   C1b C    16.5900  -25.5500
            6   N1b N    17.7800  -24.8500
            7   C5a C    18.9700  -25.5500
            8   C1b C    20.2300  -24.8500
            9   C1b C    21.4200  -25.5500
            10  N1b N    22.6100  -24.8500
            11  C5a C    23.8700  -25.5500
            12  C1c C    25.0600  -24.8500
            13  C1d C    26.2500  -25.5500
            14  C1b C    27.4400  -24.8500
            15  O2b O    28.7000  -25.5500
            16  O5a O    12.9500  -23.4500
            17  O5a O    18.9700  -26.9500
            18  O5a O    23.8700  -26.9500
            19  O1a O    25.0600  -23.4500
            20  C1a C    26.2500  -24.1500
            21  C1a C    26.2500  -26.9500
            22  P1b P    30.1000  -25.5500
            23  O1c O    31.5000  -25.5500
            24  O1c O    30.1000  -26.9500
            25  C1y C    23.5900  -20.5800
            26  C1y C    24.9900  -20.5800
            27  C1y C    25.4100  -19.2500
            28  O2x O    24.2900  -18.4100
            29  C1y C    23.1700  -19.2500
            30  C1b C    26.7400  -18.8300
            31  O1a O    22.7500  -21.7000
            32  O2b O    25.8300  -21.7000
            33  P1b P    27.2300  -21.7000
            34  O1c O    27.2300  -20.3000
            35  O1c O    28.6300  -21.7000
            36  O1c O    27.2300  -23.1000
            37  C8y C    19.0400  -17.4300
            38  C8y C    19.0400  -18.8300
            39  N4y N    21.4900  -18.8300
            40  C8x C    21.4900  -17.4300
            41  N5x N    20.2300  -16.7300
            42  C8y C    17.8500  -16.7300
            43  N5x N    16.5900  -17.4300
            44  C8x C    16.5900  -18.8300
            45  N5x N    17.8500  -19.5300
            46  N1a N    17.8500  -15.3300
            47  O2b O    28.7000  -19.2500
            48  P1b P    30.1000  -19.2500
            49  O1c O    30.1000  -17.8500
            50  O1c O    31.5000  -19.2500
            51  O2c O    30.1000  -22.4700
            52  C8x C    11.8300  -26.7400
            53  C8x C    10.7100  -24.7800
            54  C8x C    10.7100  -27.3700
            55  C8x C     9.5900  -25.4800
            56  C8y C     9.5900  -26.7400
            57  X   Cl    8.4700  -27.3700
BOND        60
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  54 2
            56   53  55 1
            57   54  56 1
            58   56  57 1
            59   55  56 2
            60   53   1 2

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