KEGG   COMPOUND: C19684
Entry
C19684                      Compound                               

Name
2,3-Epoxy-2,3-dihydrobenzoyl-CoA
Formula
C28H40N7O18P3S
Exact mass
887.1363
Mol weight
887.6396
Structure
Reaction
Pathway
map00362  Benzoate degradation
Enzyme
Other DBs
PubChem: 135626152
KCF data

ATOM        57
            1   C2y C    10.4300  -20.3000
            2   C2x C    10.4300  -21.5600
            3   C1y C     9.3100  -19.6000
            4   C2x C     9.3100  -22.2600
            5   C1y C     8.1900  -20.3000
            6   C2x C     8.1900  -21.5600
            7   O2x O     8.1900  -19.0400
            8   C5a C    11.6900  -19.6000
            9   S2a S    12.8800  -20.3000
            10  C1b C    14.0700  -19.6000
            11  C1b C    15.3300  -20.3000
            12  N1b N    16.5200  -19.6000
            13  C5a C    17.7100  -20.3000
            14  C1b C    18.9700  -19.6000
            15  C1b C    20.1600  -20.3000
            16  N1b N    21.3500  -19.6000
            17  C5a C    22.6100  -20.3000
            18  C1c C    23.8000  -19.6000
            19  C1d C    24.9900  -20.3000
            20  C1b C    26.1800  -19.6000
            21  O2b O    27.4400  -20.3000
            22  O5a O    11.6900  -18.2000
            23  O5a O    17.7100  -21.7000
            24  O5a O    22.6100  -21.7000
            25  O1a O    23.8000  -18.2000
            26  C1a C    24.9900  -18.9000
            27  C1a C    24.9900  -21.7000
            28  P1b P    28.8400  -20.3000
            29  O1c O    30.2400  -20.3000
            30  O1c O    28.8400  -21.7000
            31  C1y C    22.3300  -15.3300
            32  C1y C    23.7300  -15.3300
            33  C1y C    24.1500  -14.0000
            34  O2x O    23.0300  -13.1600
            35  C1y C    21.9100  -14.0000
            36  C1b C    25.4800  -13.5800
            37  O1a O    21.4900  -16.4500
            38  O2b O    24.5700  -16.4500
            39  P1b P    25.9700  -16.4500
            40  O1c O    25.9700  -15.0500
            41  O1c O    27.3700  -16.4500
            42  O1c O    25.9700  -17.8500
            43  C8y C    17.7800  -12.1800
            44  C8y C    17.7800  -13.5800
            45  N4y N    20.2300  -13.5800
            46  C8x C    20.2300  -12.1800
            47  N5x N    18.9700  -11.4800
            48  C8y C    16.5900  -11.4800
            49  N5x N    15.3300  -12.1800
            50  C8x C    15.3300  -13.5800
            51  N5x N    16.5900  -14.2800
            52  N1a N    16.5900  -10.0800
            53  O2b O    27.4400  -14.0000
            54  P1b P    28.8400  -14.0000
            55  O1c O    28.8400  -12.6000
            56  O1c O    30.2400  -14.0000
            57  O2c O    28.8400  -17.2200
BOND        61
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   6 1
            7     3   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22    8  22 2
            23   13  23 2
            24   17  24 2
            25   18  25 1 #Down
            26   19  26 1
            27   19  27 1
            28   21  28 1
            29   28  29 2
            30   28  30 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   31  35 1
            36   33  36 1 #Down
            37   31  37 1 #Up
            38   32  38 1 #Up
            39   38  39 1
            40   39  40 1
            41   39  41 1
            42   39  42 2
            43   43  44 2
            44   44  45 1
            45   45  46 1
            46   46  47 2
            47   43  47 1
            48   43  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 2
            52   44  51 1
            53   48  52 1
            54   35  45 1 #Down
            55   36  53 1
            56   53  54 1
            57   54  55 1
            58   54  56 2
            59   54  57 1
            60   28  57 1
            61    5   7 1

» Japanese version

DBGET integrated database retrieval system