KEGG   COMPOUND: C09817Help
Entry
C09817                      Compound                               

Name
Benzylsuccinyl-CoA;
(R)-2-Benzylsuccinyl-CoA
Formula
C32H46N7O19P3S
Exact mass
957.1782
Mol weight
957.7294
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Toluene degradation
Metabolic pathways
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00418  
Toluene degradation, anaerobic, toluene => benzoyl-CoA
Enzyme
1.3.8.3         2.8.3.15
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        62
            1   S2a S    15.1200  -26.8100
            2   C1b C    16.3100  -26.1100
            3   C1b C    17.5700  -26.8100
            4   N1b N    18.7600  -26.1100
            5   C5a C    19.9500  -26.8100
            6   C1b C    21.2100  -26.1100
            7   C1b C    22.4000  -26.8100
            8   N1b N    23.5900  -26.1100
            9   C5a C    24.8500  -26.8100
            10  C1c C    26.0400  -26.1100
            11  C1d C    27.2300  -26.8100
            12  C1b C    28.4200  -26.1100
            13  O2b O    29.6800  -26.8100
            14  O5a O    19.9500  -28.2100
            15  O5a O    24.8500  -28.2100
            16  O1a O    26.0400  -24.7100
            17  C1a C    27.2300  -25.4100
            18  C1a C    27.2300  -28.2100
            19  P1b P    31.0800  -26.8100
            20  O1c O    32.4800  -26.8100
            21  O1c O    31.0800  -28.2100
            22  C1y C    24.5700  -21.8400
            23  C1y C    25.9700  -21.8400
            24  C1y C    26.3900  -20.5100
            25  O2x O    25.2700  -19.6700
            26  C1y C    24.1500  -20.5100
            27  C1b C    27.7200  -20.0900
            28  O1a O    23.7300  -22.9600
            29  O2b O    26.8100  -22.9600
            30  P1b P    28.2100  -22.9600
            31  O1c O    28.2100  -21.5600
            32  O1c O    29.6100  -22.9600
            33  O1c O    28.2100  -24.3600
            34  C8y C    20.0200  -18.6900
            35  C8y C    20.0200  -20.0900
            36  N4y N    22.4700  -20.0900
            37  C8x C    22.4700  -18.6900
            38  N5x N    21.2100  -17.9900
            39  C8y C    18.8300  -17.9900
            40  N5x N    17.5700  -18.6900
            41  C8x C    17.5700  -20.0900
            42  N5x N    18.8300  -20.7900
            43  N1a N    18.8300  -16.5900
            44  O2b O    29.6800  -20.5100
            45  P1b P    31.0800  -20.5100
            46  O1c O    31.0800  -19.1100
            47  O1c O    32.4800  -20.5100
            48  O2c O    31.0800  -23.7300
            49  C5a C    13.9300  -26.1800
            50  C1c C    12.8100  -26.8100
            51  O5a O    13.9300  -24.8500
            52  C1b C    12.8100  -28.1400
            53  C1b C    11.6900  -26.1800
            54  C8y C    13.9300  -28.7700
            55  C6a C    10.5700  -26.8100
            56  C8x C    15.0500  -28.1400
            57  C8x C    13.9300  -30.0300
            58  O6a O    10.5700  -28.1400
            59  O6a O     9.4500  -26.1800
            60  C8x C    16.1700  -28.7700
            61  C8x C    15.0500  -30.7300
            62  C8x C    16.1700  -30.0300
BOND        65
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   50  49 1
            53   49  51 2
            54   50  52 1 #Down
            55   50  53 1
            56   52  54 1
            57   53  55 1
            58   54  56 1
            59   54  57 2
            60   55  58 1
            61   55  59 2
            62   56  60 2
            63   57  61 1
            64   60  62 1
            65   61  62 2

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