KEGG   COMPOUND: C09811Help
Entry
C09811                      Compound                               

Name
Cyclohex-1-ene-1-carboxyl-CoA
Formula
C28H44N7O17P3S
Exact mass
875.1727
Mol weight
875.6719
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00362  Benzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00540  Benzoate degradation, cyclohexanecarboxylic acid =>pimeloyl-CoA
Enzyme
1.3.8.10        1.3.8.11        1.3.-.-         4.2.1.-
Other DBs
PubChem: 11999
ChEBI: 28005
NIKKAJI: J2.771.163D
LinkDB All DBs
KCF data Show

ATOM        56
            1   S2a S    13.5800  -23.0300
            2   C1b C    14.7700  -22.3300
            3   C1b C    16.0300  -23.0300
            4   N1b N    17.2200  -22.3300
            5   C5a C    18.4100  -23.0300
            6   C1b C    19.6700  -22.3300
            7   C1b C    20.8600  -23.0300
            8   N1b N    22.0500  -22.3300
            9   C5a C    23.3100  -23.0300
            10  C1c C    24.5000  -22.3300
            11  C1d C    25.6900  -23.0300
            12  C1b C    26.8800  -22.3300
            13  O2b O    28.1400  -23.0300
            14  O5a O    18.4100  -24.4300
            15  O5a O    23.3100  -24.4300
            16  O1a O    24.5000  -20.9300
            17  C1a C    25.6900  -21.6300
            18  C1a C    25.6900  -24.4300
            19  P1b P    29.5400  -23.0300
            20  O1c O    30.9400  -23.0300
            21  O1c O    29.5400  -24.4300
            22  C1y C    23.0300  -18.0600
            23  C1y C    24.4300  -18.0600
            24  C1y C    24.8500  -16.7300
            25  O2x O    23.7300  -15.8900
            26  C1y C    22.6100  -16.7300
            27  C1b C    26.1800  -16.3100
            28  O1a O    22.1900  -19.1800
            29  O2b O    25.2700  -19.1800
            30  P1b P    26.6700  -19.1800
            31  O1c O    26.6700  -17.7800
            32  O1c O    28.0700  -19.1800
            33  O1c O    26.6700  -20.5800
            34  C8y C    18.4800  -14.9100
            35  C8y C    18.4800  -16.3100
            36  N4y N    20.9300  -16.3100
            37  C8x C    20.9300  -14.9100
            38  N5x N    19.6700  -14.2100
            39  C8y C    17.2900  -14.2100
            40  N5x N    16.0300  -14.9100
            41  C8x C    16.0300  -16.3100
            42  N5x N    17.2900  -17.0100
            43  N1a N    17.2900  -12.8100
            44  O2b O    28.1400  -16.7300
            45  P1b P    29.5400  -16.7300
            46  O1c O    29.5400  -15.3300
            47  O1c O    30.9400  -16.7300
            48  O2c O    29.5400  -19.9500
            49  C5a C    12.4600  -22.4000
            50  C2y C    11.3400  -23.0300
            51  O5a O    12.4600  -21.0700
            52  C1x C    11.3400  -24.3600
            53  C2x C    10.2200  -22.4000
            54  C1x C    10.2200  -24.9900
            55  C1x C     9.1000  -23.0300
            56  C1x C     9.1000  -24.3600
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 1
            59   55  56 1

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