KEGG   COMPOUND: C09810Help
Entry
C09810                      Compound                               

Name
Cyclohex-1,4-diene-1-carboxyl-CoA
Formula
C28H42N7O17P3S
Exact mass
873.1571
Mol weight
873.6561
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Microbial metabolism in diverse environments
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        56
            1   S2a S    13.5800  -20.8600
            2   C1b C    14.7700  -20.1600
            3   C1b C    16.0300  -20.8600
            4   N1b N    17.2200  -20.1600
            5   C5a C    18.4100  -20.8600
            6   C1b C    19.6700  -20.1600
            7   C1b C    20.8600  -20.8600
            8   N1b N    22.0500  -20.1600
            9   C5a C    23.3100  -20.8600
            10  C1c C    24.5000  -20.1600
            11  C1d C    25.6900  -20.8600
            12  C1b C    26.8800  -20.1600
            13  O2b O    28.1400  -20.8600
            14  O5a O    18.4100  -22.2600
            15  O5a O    23.3100  -22.2600
            16  O1a O    24.5000  -18.7600
            17  C1a C    25.6900  -19.4600
            18  C1a C    25.6900  -22.2600
            19  P1b P    29.5400  -20.8600
            20  O1c O    30.9400  -20.8600
            21  O1c O    29.5400  -22.2600
            22  C1y C    23.0300  -15.8900
            23  C1y C    24.4300  -15.8900
            24  C1y C    24.8500  -14.5600
            25  O2x O    23.7300  -13.7200
            26  C1y C    22.6100  -14.5600
            27  C1b C    26.1800  -14.1400
            28  O1a O    22.1900  -17.0100
            29  O2b O    25.2700  -17.0100
            30  P1b P    26.6700  -17.0100
            31  O1c O    26.6700  -15.6100
            32  O1c O    28.0700  -17.0100
            33  O1c O    26.6700  -18.4100
            34  C8y C    18.4800  -12.7400
            35  C8y C    18.4800  -14.1400
            36  N4y N    20.9300  -14.1400
            37  C8x C    20.9300  -12.7400
            38  N5x N    19.6700  -12.0400
            39  C8y C    17.2900  -12.0400
            40  N5x N    16.0300  -12.7400
            41  C8x C    16.0300  -14.1400
            42  N5x N    17.2900  -14.8400
            43  N1a N    17.2900  -10.6400
            44  O2b O    28.1400  -14.5600
            45  P1b P    29.5400  -14.5600
            46  O1c O    29.5400  -13.1600
            47  O1c O    30.9400  -14.5600
            48  O2c O    29.5400  -17.7800
            49  C5a C    12.4600  -20.2300
            50  C2y C    11.3400  -20.8600
            51  O5a O    12.4600  -18.9000
            52  C1x C    11.3400  -22.1900
            53  C2x C    10.2200  -20.2300
            54  C2x C    10.2200  -22.8200
            55  C1x C     9.1000  -20.8600
            56  C2x C     9.1000  -22.1900
BOND        59
            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   50  53 2
            56   52  54 1
            57   53  55 1
            58   54  56 2
            59   55  56 1

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