KEGG   COMPOUND: C20062Help
Entry
C20062                      Compound                               

Name
2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA
Formula
C29H42N7O18P3S
Exact mass
901.152
Mol weight
901.6662
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylalanine metabolism
Microbial metabolism in diverse environments
Enzyme
Other DBs
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        58
            1   C1b C    12.9500  -21.1400
            2   C5a C    14.2100  -20.4400
            3   S2a S    15.4000  -21.1400
            4   C1b C    16.5900  -20.4400
            5   C1b C    17.8500  -21.1400
            6   N1b N    19.0400  -20.4400
            7   C5a C    20.2300  -21.1400
            8   C1b C    21.4900  -20.4400
            9   C1b C    22.6800  -21.1400
            10  N1b N    23.8700  -20.4400
            11  C5a C    25.1300  -21.1400
            12  C1c C    26.3200  -20.4400
            13  C1d C    27.5100  -21.1400
            14  C1b C    28.7000  -20.4400
            15  O2b O    29.9600  -21.1400
            16  O5a O    14.2100  -19.0400
            17  O5a O    20.2300  -22.5400
            18  O5a O    25.1300  -22.5400
            19  O1a O    26.3200  -19.0400
            20  C1a C    27.5100  -19.7400
            21  C1a C    27.5100  -22.5400
            22  P1b P    31.3600  -21.1400
            23  O1c O    32.7600  -21.1400
            24  O1c O    31.3600  -22.5400
            25  C1y C    24.8500  -16.1700
            26  C1y C    26.2500  -16.1700
            27  C1y C    26.6700  -14.8400
            28  O2x O    25.5500  -14.0000
            29  C1y C    24.4300  -14.8400
            30  C1b C    28.0000  -14.4200
            31  O1a O    24.0100  -17.2900
            32  O2b O    27.0900  -17.2900
            33  P1b P    28.4900  -17.2900
            34  O1c O    28.4900  -15.8900
            35  O1c O    29.8900  -17.2900
            36  O1c O    28.4900  -18.6900
            37  C8y C    20.3000  -13.0200
            38  C8y C    20.3000  -14.4200
            39  N4y N    22.7500  -14.4200
            40  C8x C    22.7500  -13.0200
            41  N5x N    21.4900  -12.3200
            42  C8y C    19.1100  -12.3200
            43  N5x N    17.8500  -13.0200
            44  C8x C    17.8500  -14.4200
            45  N5x N    19.1100  -15.1200
            46  N1a N    19.1100  -10.9200
            47  O2b O    29.9600  -14.8400
            48  P1b P    31.3600  -14.8400
            49  O1c O    31.3600  -13.4400
            50  O1c O    32.7600  -14.8400
            51  O2c O    31.3600  -18.0600
            52  C1z C    11.7600  -20.4400
            53  C2x C    11.7600  -19.0400
            54  C2x C    10.5000  -18.3400
            55  C2x C     9.3100  -19.0400
            56  C2x C     9.3100  -20.4400
            57  C1y C    10.5000  -21.1400
            58  O2x O    11.7600  -21.8400
BOND        62
            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   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   52  57 1
            61   52  58 1
            62   58  57 1

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