KEGG   COMPOUND: C09820Help
Entry
C09820                      Compound                               

Name
Benzoylsuccinyl-CoA;
2-Benzoylsuccinyl-CoA
Formula
C32H44N7O20P3S
Exact mass
971.1575
Mol weight
971.7129
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
1.1.1.35        2.3.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        63
            1   S2a S    15.1900  -21.7700
            2   C1b C    16.3800  -21.0700
            3   C1b C    17.6400  -21.7700
            4   N1b N    18.8300  -21.0700
            5   C5a C    20.0200  -21.7700
            6   C1b C    21.2800  -21.0700
            7   C1b C    22.4700  -21.7700
            8   N1b N    23.6600  -21.0700
            9   C5a C    24.9200  -21.7700
            10  C1c C    26.1100  -21.0700
            11  C1d C    27.3000  -21.7700
            12  C1b C    28.4900  -21.0700
            13  O2b O    29.7500  -21.7700
            14  O5a O    20.0200  -23.1700
            15  O5a O    24.9200  -23.1700
            16  O1a O    26.1100  -19.6700
            17  C1a C    27.3000  -20.3700
            18  C1a C    27.3000  -23.1700
            19  P1b P    31.1500  -21.7700
            20  O1c O    32.5500  -21.7700
            21  O1c O    31.1500  -23.1700
            22  C1y C    24.6400  -16.8000
            23  C1y C    26.0400  -16.8000
            24  C1y C    26.4600  -15.4700
            25  O2x O    25.3400  -14.6300
            26  C1y C    24.2200  -15.4700
            27  C1b C    27.7900  -15.0500
            28  O1a O    23.8000  -17.9200
            29  O2b O    26.8800  -17.9200
            30  P1b P    28.2800  -17.9200
            31  O1c O    28.2800  -16.5200
            32  O1c O    29.6800  -17.9200
            33  O1c O    28.2800  -19.3200
            34  C8y C    20.0900  -13.6500
            35  C8y C    20.0900  -15.0500
            36  N4y N    22.5400  -15.0500
            37  C8x C    22.5400  -13.6500
            38  N5x N    21.2800  -12.9500
            39  C8y C    18.9000  -12.9500
            40  N5x N    17.6400  -13.6500
            41  C8x C    17.6400  -15.0500
            42  N5x N    18.9000  -15.7500
            43  N1a N    18.9000  -11.5500
            44  O2b O    29.7500  -15.4700
            45  P1b P    31.1500  -15.4700
            46  O1c O    31.1500  -14.0700
            47  O1c O    32.5500  -15.4700
            48  O2c O    31.1500  -18.6900
            49  C5a C    14.0700  -21.1400
            50  C1c C    12.9500  -21.7700
            51  O5a O    14.0700  -19.8100
            52  C5a C    12.9500  -23.1000
            53  C1b C    11.8300  -21.1400
            54  C8y C    14.0700  -23.7300
            55  O5a O    11.7600  -23.7300
            56  C6a C    10.6400  -21.7700
            57  C8x C    15.1900  -23.1000
            58  C8x C    14.0700  -24.9900
            59  O6a O     9.5200  -21.1400
            60  O6a O    10.6400  -23.1000
            61  C8x C    16.3100  -23.7300
            62  C8x C    15.1900  -25.6900
            63  C8x C    16.3100  -24.9900
BOND        66
            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 #Up
            53   49  51 2
            54   50  52 1
            55   50  53 1
            56   52  54 1
            57   52  55 2
            58   53  56 1
            59   54  57 1
            60   54  58 2
            61   56  59 1
            62   56  60 2
            63   57  61 2
            64   58  62 1
            65   61  63 1
            66   62  63 2

» Japanese version

DBGET integrated database retrieval system