KEGG   COMPOUND: C07118Help
Entry
C07118                      Compound                               

Name
Benzoyl acetyl-CoA;
Benzoyl acetyl coenzyme A
Formula
C30H42N7O18P3S
Exact mass
913.152
Mol weight
913.6769
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Ethylbenzene degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Enzyme
2.3.1.16        2.3.1.-         6.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        59
            1   C1b C    12.4600  -28.4900
            2   C5a C    13.7200  -27.7900
            3   S2a S    14.9100  -28.4900
            4   C1b C    16.1000  -27.7900
            5   C1b C    17.3600  -28.4900
            6   N1b N    18.5500  -27.7900
            7   C5a C    19.7400  -28.4900
            8   C1b C    21.0000  -27.7900
            9   C1b C    22.1900  -28.4900
            10  N1b N    23.3800  -27.7900
            11  C5a C    24.6400  -28.4900
            12  C1c C    25.8300  -27.7900
            13  C1d C    27.0200  -28.4900
            14  C1b C    28.2100  -27.7900
            15  O2b O    29.4700  -28.4900
            16  O5a O    13.7200  -26.3900
            17  O5a O    19.7400  -29.8900
            18  O5a O    24.6400  -29.8900
            19  O1a O    25.8300  -26.3900
            20  C1a C    27.0200  -27.0900
            21  C1a C    27.0200  -29.8900
            22  P1b P    30.8700  -28.4900
            23  O1c O    32.2700  -28.4900
            24  O1c O    30.8700  -29.8900
            25  C1y C    24.3600  -23.5200
            26  C1y C    25.7600  -23.5200
            27  C1y C    26.1800  -22.1900
            28  O2x O    25.0600  -21.3500
            29  C1y C    23.9400  -22.1900
            30  C1b C    27.5100  -21.7700
            31  O1a O    23.5200  -24.6400
            32  O2b O    26.6000  -24.6400
            33  P1b P    28.0000  -24.6400
            34  O1c O    28.0000  -23.2400
            35  O1c O    29.4000  -24.6400
            36  O1c O    28.0000  -26.0400
            37  C8y C    19.8100  -20.3700
            38  C8y C    19.8100  -21.7700
            39  N4y N    22.2600  -21.7700
            40  C8x C    22.2600  -20.3700
            41  N5x N    21.0000  -19.6700
            42  C8y C    18.6200  -19.6700
            43  N5x N    17.3600  -20.3700
            44  C8x C    17.3600  -21.7700
            45  N5x N    18.6200  -22.4700
            46  N1a N    18.6200  -18.2700
            47  O2b O    29.4700  -22.1900
            48  P1b P    30.8700  -22.1900
            49  O1c O    30.8700  -20.7900
            50  O1c O    32.2700  -22.1900
            51  O2c O    30.8700  -25.4100
            52  C5a C    11.2700  -27.7900
            53  C8y C    10.0800  -28.4900
            54  O5a O    11.2700  -26.3900
            55  C8x C    10.0800  -29.8900
            56  C8x C     8.8900  -27.7900
            57  C8x C     8.8900  -30.5900
            58  C8x C     7.6300  -28.4900
            59  C8x C     7.7000  -29.8900
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   52  53 1
            55   52  54 2
            56   53  55 2
            57   53  56 1
            58   55  57 1
            59   56  58 2
            60   57  59 2
            61   58  59 1
            62   52   1 1

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