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 search
Reaction
Pathway
map00360  Phenylalanine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Module
M00878  Phenylacetate degradation, phenylaxetate => acetyl-CoA/succinyl-CoA
Enzyme
Other DBs
PubChem: 135626528
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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