KEGG   COMPOUND: C02784
Entry
C02784                      Compound                               
Name
2-Fluorobenzoyl-CoA
Formula
C28H39FN7O17P3S
Exact mass
889.132
Mol weight
889.6306
Structure
Other DBs
PubChem: 5735
ChEBI: 27490
NIKKAJI: J1.748.828G
KCF data

ATOM        57
            1   C8y C    23.4724  -37.8000
            2   C5a C    24.6849  -37.1000
            3   S2a S    25.8973  -37.8000
            4   C1b C    27.1097  -37.1000
            5   C1b C    28.3222  -37.8000
            6   N1b N    29.5346  -37.1000
            7   C5a C    30.7470  -37.8000
            8   C1b C    31.9595  -37.1000
            9   C1b C    33.1719  -37.8000
            10  N1b N    34.3844  -37.1000
            11  C5a C    35.5968  -37.8000
            12  C1c C    36.8092  -37.1000
            13  C1d C    38.0217  -37.8000
            14  C1b C    39.2341  -37.1000
            15  O2b O    40.4465  -37.8000
            16  O5a O    24.6849  -35.7002
            17  O5a O    30.7470  -39.1999
            18  O5a O    35.5968  -39.1996
            19  O1a O    36.8092  -35.7000
            20  C1a C    38.0217  -36.4000
            21  C1a C    38.0217  -39.2000
            22  P1b P    41.8465  -37.8000
            23  O1c O    43.2465  -37.8000
            24  O1c O    41.8465  -39.2000
            25  C1y C    35.3500  -32.8300
            26  C1y C    36.7500  -32.8300
            27  C1y C    37.1826  -31.4985
            28  O2x O    36.0500  -30.6756
            29  C1y C    34.9174  -31.4985
            30  C1b C    38.5022  -31.0697
            31  O1a O    34.5271  -33.9626
            32  O2b O    37.5729  -33.9626
            33  P1b P    38.9729  -33.9626
            34  O1c O    38.9729  -32.5626
            35  O1c O    40.3729  -33.9626
            36  O1c O    38.9729  -35.3626
            37  C8y C    30.8000  -29.6800
            38  C8y C    30.8000  -31.0800
            39  N4y N    33.2249  -31.0800
            40  C8x C    33.2249  -29.6800
            41  N5x N    32.0124  -28.9800
            42  C8y C    29.5876  -28.9800
            43  N5x N    28.3751  -29.6800
            44  C8x C    28.3751  -31.0800
            45  N5x N    29.5876  -31.7800
            46  N1a N    29.5876  -27.5802
            47  O2b O    40.4845  -31.5020
            48  P1b P    41.8845  -31.5020
            49  O1c O    41.8845  -30.1020
            50  O1c O    43.2845  -31.5020
            51  O2c O    41.8845  -34.7220
            52  C8y C    22.2433  -37.0902
            53  C8x C    21.0308  -37.7900
            54  C8x C    21.0306  -39.1900
            55  C8x C    22.2597  -39.8998
            56  C8x C    23.4722  -39.2000
            57  X   F    22.2436  -35.7001
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 2
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59    1  56 1
            60   52  57 1

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