KEGG   COMPOUND: C09819Help
Entry
C09819                      Compound                               

Name
(Hydroxymethylphenyl)succinyl-CoA
Formula
C32H46N7O20P3S
Exact mass
973.1731
Mol weight
973.7288
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        4.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        63
            1   S2a S    15.1900  -26.1100
            2   C1b C    16.3800  -25.4100
            3   C1b C    17.6400  -26.1100
            4   N1b N    18.8300  -25.4100
            5   C5a C    20.0200  -26.1100
            6   C1b C    21.2800  -25.4100
            7   C1b C    22.4700  -26.1100
            8   N1b N    23.6600  -25.4100
            9   C5a C    24.9200  -26.1100
            10  C1c C    26.1100  -25.4100
            11  C1d C    27.3000  -26.1100
            12  C1b C    28.4900  -25.4100
            13  O2b O    29.7500  -26.1100
            14  O5a O    20.0200  -27.5100
            15  O5a O    24.9200  -27.5100
            16  O1a O    26.1100  -24.0100
            17  C1a C    27.3000  -24.7100
            18  C1a C    27.3000  -27.5100
            19  P1b P    31.1500  -26.1100
            20  O1c O    32.5500  -26.1100
            21  O1c O    31.1500  -27.5100
            22  C1y C    24.6400  -21.1400
            23  C1y C    26.0400  -21.1400
            24  C1y C    26.4600  -19.8100
            25  O2x O    25.3400  -18.9700
            26  C1y C    24.2200  -19.8100
            27  C1b C    27.7900  -19.3900
            28  O1a O    23.8000  -22.2600
            29  O2b O    26.8800  -22.2600
            30  P1b P    28.2800  -22.2600
            31  O1c O    28.2800  -20.8600
            32  O1c O    29.6800  -22.2600
            33  O1c O    28.2800  -23.6600
            34  C8y C    20.0900  -17.9900
            35  C8y C    20.0900  -19.3900
            36  N4y N    22.5400  -19.3900
            37  C8x C    22.5400  -17.9900
            38  N5x N    21.2800  -17.2900
            39  C8y C    18.9000  -17.2900
            40  N5x N    17.6400  -17.9900
            41  C8x C    17.6400  -19.3900
            42  N5x N    18.9000  -20.0900
            43  N1a N    18.9000  -15.8900
            44  O2b O    29.7500  -19.8100
            45  P1b P    31.1500  -19.8100
            46  O1c O    31.1500  -18.4100
            47  O1c O    32.5500  -19.8100
            48  O2c O    31.1500  -23.0300
            49  C5a C    14.0700  -25.4800
            50  C1c C    12.9500  -26.1100
            51  O5a O    14.0700  -24.1500
            52  C1c C    12.9500  -27.4400
            53  C1b C    11.8300  -25.4800
            54  C8y C    14.0700  -28.0700
            55  O1a O    11.7600  -28.0700
            56  C6a C    10.6400  -26.1100
            57  C8x C    15.1900  -27.4400
            58  C8x C    14.0700  -29.3300
            59  O6a O     9.5200  -25.4800
            60  O6a O    10.6400  -27.4400
            61  C8x C    16.3100  -28.0700
            62  C8x C    15.1900  -30.0300
            63  C8x C    16.3100  -29.3300
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 1 #Down
            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