KEGG   COMPOUND: C09813Help
Entry
C09813                      Compound                               

Name
2-Ketocyclohexane-1-carboxyl-CoA;
2-Oxocyclohexane-1-carbonyl-CoA
Formula
C28H44N7O18P3S
Exact mass
891.1676
Mol weight
891.6713
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00540  
Benzoate degradation, cyclohexanecarboxylic acid =>pimeloyl-CoA
Enzyme
1.1.1.-         3.1.2.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   S2a S    13.5800  -22.2600
            2   C1b C    14.7700  -21.5600
            3   C1b C    16.0300  -22.2600
            4   N1b N    17.2200  -21.5600
            5   C5a C    18.4100  -22.2600
            6   C1b C    19.6700  -21.5600
            7   C1b C    20.8600  -22.2600
            8   N1b N    22.0500  -21.5600
            9   C5a C    23.3100  -22.2600
            10  C1c C    24.5000  -21.5600
            11  C1d C    25.6900  -22.2600
            12  C1b C    26.8800  -21.5600
            13  O2b O    28.1400  -22.2600
            14  O5a O    18.4100  -23.6600
            15  O5a O    23.3100  -23.6600
            16  O1a O    24.5000  -20.1600
            17  C1a C    25.6900  -20.8600
            18  C1a C    25.6900  -23.6600
            19  P1b P    29.5400  -22.2600
            20  O1c O    30.9400  -22.2600
            21  O1c O    29.5400  -23.6600
            22  C1y C    23.0300  -17.2900
            23  C1y C    24.4300  -17.2900
            24  C1y C    24.8500  -15.9600
            25  O2x O    23.7300  -15.1200
            26  C1y C    22.6100  -15.9600
            27  C1b C    26.1800  -15.5400
            28  O1a O    22.1900  -18.4100
            29  O2b O    25.2700  -18.4100
            30  P1b P    26.6700  -18.4100
            31  O1c O    26.6700  -17.0100
            32  O1c O    28.0700  -18.4100
            33  O1c O    26.6700  -19.8100
            34  C8y C    18.4800  -14.1400
            35  C8y C    18.4800  -15.5400
            36  N4y N    20.9300  -15.5400
            37  C8x C    20.9300  -14.1400
            38  N5x N    19.6700  -13.4400
            39  C8y C    17.2900  -13.4400
            40  N5x N    16.0300  -14.1400
            41  C8x C    16.0300  -15.5400
            42  N5x N    17.2900  -16.2400
            43  N1a N    17.2900  -12.0400
            44  O2b O    28.1400  -15.9600
            45  P1b P    29.5400  -15.9600
            46  O1c O    29.5400  -14.5600
            47  O1c O    30.9400  -15.9600
            48  O2c O    29.5400  -19.1800
            49  C5a C    12.4600  -21.6300
            50  C1y C    11.3400  -22.2600
            51  O5a O    12.4600  -20.3000
            52  C5x C    10.2200  -21.6300
            53  C1x C    11.3400  -23.5200
            54  C1x C     9.0300  -22.2600
            55  O5x O    10.2200  -20.3000
            56  C1x C    10.2200  -24.2200
            57  C1x C     9.1000  -23.5200
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    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 1
            56   52  54 1
            57   52  55 2
            58   53  56 1
            59   54  57 1
            60   56  57 1

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