KEGG   COMPOUND: C09812
Entry
C09812                      Compound                               

Name
2-Hydroxycyclohexane-1-carboxyl-CoA
Formula
C28H46N7O18P3S
Exact mass
893.1833
Mol weight
893.6872
Structure
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
1.1.1.-         4.2.1.-
Other DBs
PubChem: 12000
ChEBI: 28169
NIKKAJI: J2.771.164B
LinkDB
KCF data

ATOM        57
            1   S2a S    12.2500  -20.3000
            2   C1b C    13.4400  -19.6000
            3   C1b C    14.7000  -20.3000
            4   N1b N    15.8900  -19.6000
            5   C5a C    17.0800  -20.3000
            6   C1b C    18.3400  -19.6000
            7   C1b C    19.5300  -20.3000
            8   N1b N    20.7200  -19.6000
            9   C5a C    21.9800  -20.3000
            10  C1c C    23.1700  -19.6000
            11  C1d C    24.3600  -20.3000
            12  C1b C    25.5500  -19.6000
            13  O2b O    26.8100  -20.3000
            14  O5a O    17.0800  -21.7000
            15  O5a O    21.9800  -21.7000
            16  O1a O    23.1700  -18.2000
            17  C1a C    24.3600  -18.9000
            18  C1a C    24.3600  -21.7000
            19  P1b P    28.2100  -20.3000
            20  O1c O    29.6100  -20.3000
            21  O1c O    28.2100  -21.7000
            22  C1y C    21.7000  -15.3300
            23  C1y C    23.1000  -15.3300
            24  C1y C    23.5200  -14.0000
            25  O2x O    22.4000  -13.1600
            26  C1y C    21.2800  -14.0000
            27  C1b C    24.8500  -13.5800
            28  O1a O    20.8600  -16.4500
            29  O2b O    23.9400  -16.4500
            30  P1b P    25.3400  -16.4500
            31  O1c O    25.3400  -15.0500
            32  O1c O    26.7400  -16.4500
            33  O1c O    25.3400  -17.8500
            34  C8y C    17.1500  -12.1800
            35  C8y C    17.1500  -13.5800
            36  N4y N    19.6000  -13.5800
            37  C8x C    19.6000  -12.1800
            38  N5x N    18.3400  -11.4800
            39  C8y C    15.9600  -11.4800
            40  N5x N    14.7000  -12.1800
            41  C8x C    14.7000  -13.5800
            42  N5x N    15.9600  -14.2800
            43  N1a N    15.9600  -10.0800
            44  O2b O    26.8100  -14.0000
            45  P1b P    28.2100  -14.0000
            46  O1c O    28.2100  -12.6000
            47  O1c O    29.6100  -14.0000
            48  O2c O    28.2100  -17.2200
            49  C5a C    11.1300  -19.6700
            50  C1y C    10.0100  -20.3000
            51  O5a O    11.1300  -18.3400
            52  C1y C     8.8900  -19.6700
            53  C1x C    10.0100  -21.5600
            54  C1x C     7.7000  -20.3000
            55  O1a O     8.8900  -18.3400
            56  C1x C     8.8900  -22.2600
            57  C1x C     7.7000  -21.6300
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 1
            58   53  56 1
            59   54  57 1
            60   56  57 1

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