KEGG   COMPOUND: C11934Help
Entry
C11934                      Compound                               

Name
2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA
Formula
C31H50N7O18P3S
Exact mass
933.2146
Mol weight
933.7511
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Limonene and pinene degradation
Degradation of aromatic compounds
Enzyme
1.1.-.-         4.2.1.-
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        60
            1   S2a S    12.9500  -21.7000
            2   C1b C    14.1400  -21.0000
            3   C1b C    15.4000  -21.7000
            4   N1b N    16.5900  -21.0000
            5   C5a C    17.7800  -21.7000
            6   C1b C    19.0400  -21.0000
            7   C1b C    20.2300  -21.7000
            8   N1b N    21.4200  -21.0000
            9   C5a C    22.6800  -21.7000
            10  C1c C    23.8700  -21.0000
            11  C1d C    25.0600  -21.7000
            12  C1b C    26.2500  -21.0000
            13  O2b O    27.5100  -21.7000
            14  O5a O    17.7800  -23.1000
            15  O5a O    22.6800  -23.1000
            16  O1a O    23.8700  -19.6000
            17  C1a C    25.0600  -20.3000
            18  C1a C    25.0600  -23.1000
            19  P1b P    28.9100  -21.7000
            20  O1c O    30.3100  -21.7000
            21  O1c O    28.9100  -23.1000
            22  C1y C    22.4000  -16.7300
            23  C1y C    23.8000  -16.7300
            24  C1y C    24.2200  -15.4000
            25  O2x O    23.1000  -14.5600
            26  C1y C    21.9800  -15.4000
            27  C1b C    25.5500  -14.9800
            28  O1a O    21.5600  -17.8500
            29  O2b O    24.6400  -17.8500
            30  P1b P    26.0400  -17.8500
            31  O1c O    26.0400  -16.4500
            32  O1c O    27.4400  -17.8500
            33  O1c O    26.0400  -19.2500
            34  C8y C    17.8500  -13.5800
            35  C8y C    17.8500  -14.9800
            36  N4y N    20.3000  -14.9800
            37  C8x C    20.3000  -13.5800
            38  N5x N    19.0400  -12.8800
            39  C8y C    16.6600  -12.8800
            40  N5x N    15.4000  -13.5800
            41  C8x C    15.4000  -14.9800
            42  N5x N    16.6600  -15.6800
            43  N1a N    16.6600  -11.4800
            44  O2b O    27.5100  -15.4000
            45  P1b P    28.9100  -15.4000
            46  O1c O    28.9100  -14.0000
            47  O1c O    30.3100  -15.4000
            48  O2c O    28.9100  -18.6200
            49  C5a C    11.8300  -22.3300
            50  C1y C    11.8300  -23.5900
            51  O5a O    10.7100  -21.7000
            52  C1x C    12.9500  -24.2200
            53  C1x C    12.9500  -25.5500
            54  C1y C    11.8300  -26.1800
            55  C1x C    10.7100  -25.5500
            56  C1y C    10.7100  -24.2200
            57  C2c C    11.8300  -27.4400
            58  C2a C    12.9500  -28.1400
            59  C1a C    10.7100  -28.1400
            60  O1a O     9.5900  -23.5900
BOND        63
            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   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  50 1
            60   54  57 1
            61   57  58 2
            62   57  59 1
            63   56  60 1

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