KEGG   COMPOUND: C06671Help
Entry
C06671                      Compound                               

Name
2,4-Dichlorobenzoyl-CoA
Formula
C28H38Cl2N7O17P3S
Exact mass
939.0635
Mol weight
940.5303
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fluorobenzoate degradation
Metabolic pathways
Microbial metabolism in diverse environments
Enzyme
1.21.1.2        6.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   S2a S    17.4273  -23.4500
            2   C1b C    18.6397  -22.7500
            3   C1b C    19.8522  -23.4500
            4   N1b N    21.0646  -22.7500
            5   C5a C    22.2770  -23.4500
            6   C1b C    23.4895  -22.7500
            7   C1b C    24.7019  -23.4500
            8   N1b N    25.9144  -22.7500
            9   C5a C    27.1268  -23.4500
            10  C1c C    28.3392  -22.7500
            11  C1d C    29.5517  -23.4500
            12  C1b C    30.7641  -22.7500
            13  O2b O    31.9765  -23.4500
            14  O5a O    22.2770  -24.8499
            15  O5a O    27.1268  -24.8496
            16  O1a O    28.3392  -21.3500
            17  C1a C    29.5517  -22.0500
            18  C1a C    29.5517  -24.8500
            19  P1b P    33.3765  -23.4500
            20  O1c O    34.7765  -23.4500
            21  O1c O    33.3765  -24.8500
            22  C1y C    26.8800  -18.4800
            23  C1y C    28.2800  -18.4800
            24  C1y C    28.7126  -17.1485
            25  O2x O    27.5800  -16.3256
            26  C1y C    26.4474  -17.1485
            27  C1b C    30.0322  -16.7197
            28  O1a O    26.0571  -19.6126
            29  O2b O    29.1029  -19.6126
            30  P1b P    30.5029  -19.6126
            31  O1c O    30.5029  -18.2126
            32  O1c O    31.9029  -19.6126
            33  O1c O    30.5029  -21.0126
            34  C8y C    22.3300  -15.3300
            35  C8y C    22.3300  -16.7300
            36  N4y N    24.7549  -16.7300
            37  C8x C    24.7549  -15.3300
            38  N5x N    23.5424  -14.6300
            39  C8y C    21.1176  -14.6300
            40  N5x N    19.9051  -15.3300
            41  C8x C    19.9051  -16.7300
            42  N5x N    21.1176  -17.4300
            43  N1a N    21.1176  -13.2302
            44  O2b O    32.0145  -17.1520
            45  P1b P    33.4145  -17.1520
            46  O1c O    33.4145  -15.7520
            47  O1c O    34.8145  -17.1520
            48  O2c O    33.4145  -20.3720
            49  C5a C    16.2169  -22.7512
            50  C8y C    16.2169  -21.3512
            51  O5a O    15.0224  -23.4410
            52  C8x C    17.4471  -20.6408
            53  C8x C    17.4469  -19.2408
            54  C8y C    16.2344  -18.5409
            55  C8x C    15.0042  -19.2513
            56  C8y C    15.0044  -20.6513
            57  X   Cl   16.2343  -17.1500
            58  X   Cl   13.7745  -21.3618
BOND        61
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   49  51 2
            54   50  52 1
            55   52  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   50  56 2
            60   54  57 1
            61   56  58 1

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