KEGG   COMPOUND: C02802Help
Entry
C02802                      Compound                               

Name
4-Fluorobenzoyl-CoA
Formula
C28H39FN7O17P3S
Exact mass
889.132
Mol weight
889.6306
Structure
Mol fileKCF fileDB search
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 Show

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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