KEGG   COMPOUND: C02802
Entry
C02802                      Compound                               

Name
4-Fluorobenzoyl-CoA
Formula
C28H39FN7O17P3S
Exact mass
889.132
Mol weight
889.6306
Structure
Reaction
Pathway
map00364  Fluorobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.8.1.7         6.2.1.33
Other DBs
PubChem: 5752
ChEBI: 27677
NIKKAJI: J1.798.410A
KCF data

ATOM        57
            1   C8y C    30.8224  -37.7300
            2   C5a C    32.0349  -37.0300
            3   S2a S    33.2473  -37.7300
            4   C1b C    34.4597  -37.0300
            5   C1b C    35.6722  -37.7300
            6   N1b N    36.8846  -37.0300
            7   C5a C    38.0970  -37.7300
            8   C1b C    39.3095  -37.0300
            9   C1b C    40.5219  -37.7300
            10  N1b N    41.7344  -37.0300
            11  C5a C    42.9468  -37.7300
            12  C1c C    44.1592  -37.0300
            13  C1d C    45.3717  -37.7300
            14  C1b C    46.5841  -37.0300
            15  O2b O    47.7965  -37.7300
            16  O5a O    32.0349  -35.6302
            17  O5a O    38.0970  -39.1299
            18  O5a O    42.9468  -39.1296
            19  O1a O    44.1592  -35.6300
            20  C1a C    45.3717  -36.3300
            21  C1a C    45.3717  -39.1300
            22  P1b P    49.1965  -37.7300
            23  O1c O    50.5965  -37.7300
            24  O1c O    49.1965  -39.1300
            25  C1y C    42.7000  -32.7600
            26  C1y C    44.1000  -32.7600
            27  C1y C    44.5326  -31.4285
            28  O2x O    43.4000  -30.6056
            29  C1y C    42.2674  -31.4285
            30  C1b C    45.8522  -30.9997
            31  O1a O    41.8771  -33.8926
            32  O2b O    44.9229  -33.8926
            33  P1b P    46.3229  -33.8926
            34  O1c O    46.3229  -32.4926
            35  O1c O    47.7229  -33.8926
            36  O1c O    46.3229  -35.2926
            37  C8y C    38.1500  -29.6100
            38  C8y C    38.1500  -31.0100
            39  N4y N    40.5749  -31.0100
            40  C8x C    40.5749  -29.6100
            41  N5x N    39.3624  -28.9100
            42  C8y C    36.9376  -28.9100
            43  N5x N    35.7251  -29.6100
            44  C8x C    35.7251  -31.0100
            45  N5x N    36.9376  -31.7100
            46  N1a N    36.9376  -27.5102
            47  O2b O    47.8345  -31.4320
            48  P1b P    49.2345  -31.4320
            49  O1c O    49.2345  -30.0320
            50  O1c O    50.6345  -31.4320
            51  O2c O    49.2345  -34.6520
            52  C8x C    29.5933  -37.0202
            53  C8x C    28.3808  -37.7200
            54  C8y C    28.3806  -39.1200
            55  C8x C    29.6097  -39.8298
            56  C8x C    30.8222  -39.1300
            57  X   F    27.1409  -39.8357
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   54  57 1

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