KEGG   COMPOUND: C07118Help
Entry
C07118                      Compound                               

Name
Benzoylacetyl-CoA;
Benzoylacetyl 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    11.1300  -20.2300
            2   C5a C    12.3900  -19.5300
            3   S2a S    13.5800  -20.2300
            4   C1b C    14.7700  -19.5300
            5   C1b C    16.0300  -20.2300
            6   N1b N    17.2200  -19.5300
            7   C5a C    18.4100  -20.2300
            8   C1b C    19.6700  -19.5300
            9   C1b C    20.8600  -20.2300
            10  N1b N    22.0500  -19.5300
            11  C5a C    23.3100  -20.2300
            12  C1c C    24.5000  -19.5300
            13  C1d C    25.6900  -20.2300
            14  C1b C    26.8800  -19.5300
            15  O2b O    28.1400  -20.2300
            16  O5a O    12.3900  -18.1300
            17  O5a O    18.4100  -21.6300
            18  O5a O    23.3100  -21.6300
            19  O1a O    24.5000  -18.1300
            20  C1a C    25.6900  -18.8300
            21  C1a C    25.6900  -21.6300
            22  P1b P    29.5400  -20.2300
            23  O1c O    30.9400  -20.2300
            24  O1c O    29.5400  -21.6300
            25  C1y C    23.0300  -15.2600
            26  C1y C    24.4300  -15.2600
            27  C1y C    24.8500  -13.9300
            28  O2x O    23.7300  -13.0900
            29  C1y C    22.6100  -13.9300
            30  C1b C    26.1800  -13.5100
            31  O1a O    22.1900  -16.3800
            32  O2b O    25.2700  -16.3800
            33  P1b P    26.6700  -16.3800
            34  O1c O    26.6700  -14.9800
            35  O1c O    28.0700  -16.3800
            36  O1c O    26.6700  -17.7800
            37  C8y C    18.4800  -12.1100
            38  C8y C    18.4800  -13.5100
            39  N4y N    20.9300  -13.5100
            40  C8x C    20.9300  -12.1100
            41  N5x N    19.6700  -11.4100
            42  C8y C    17.2900  -11.4100
            43  N5x N    16.0300  -12.1100
            44  C8x C    16.0300  -13.5100
            45  N5x N    17.2900  -14.2100
            46  N1a N    17.2900  -10.0100
            47  O2b O    28.1400  -13.9300
            48  P1b P    29.5400  -13.9300
            49  O1c O    29.5400  -12.5300
            50  O1c O    30.9400  -13.9300
            51  O2c O    29.5400  -17.1500
            52  C5a C     9.9400  -19.5300
            53  C8y C     8.7500  -20.2300
            54  O5a O     9.9400  -18.1300
            55  C8x C     8.7500  -21.6300
            56  C8x C     7.5600  -19.5300
            57  C8x C     7.5600  -22.3300
            58  C8x C     6.3000  -20.2300
            59  C8x C     6.3000  -21.6300
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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