KEGG   COMPOUND: C06714Help
Entry
C06714                      Compound                               

Name
3-Hydroxypimeloyl-CoA;
3-Hydroxypimelyl-CoA
Formula
C28H46N7O20P3S
Exact mass
925.1731
Mol weight
925.686
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Metabolic pathways
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00541  
Benzoyl-CoA degradation, benzoyl-CoA => 3-hydroxypimeloyl-CoA
Enzyme
1.1.1.259       3.7.1.21        4.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        59
            1   C1b C    15.8200  -28.4200
            2   C5a C    17.0800  -27.7200
            3   S2a S    18.2700  -28.4200
            4   C1b C    19.3200  -27.7200
            5   C1b C    20.5800  -28.4200
            6   N1b N    21.7700  -27.7200
            7   C5a C    22.9600  -28.4200
            8   C1b C    24.2200  -27.7200
            9   C1b C    25.4100  -28.4200
            10  N1b N    26.6000  -27.7200
            11  C5a C    27.8600  -28.4200
            12  C1c C    29.0500  -27.7200
            13  C1d C    30.2400  -28.4200
            14  C1b C    31.4300  -27.7200
            15  O2b O    32.6900  -28.4200
            16  O5a O    22.9600  -29.8200
            17  O5a O    27.8600  -29.8200
            18  O1a O    29.0500  -26.3200
            19  C1a C    30.2400  -27.0200
            20  C1a C    30.2400  -29.8200
            21  P1b P    34.0900  -28.4200
            22  O1c O    35.4900  -28.4200
            23  O1c O    34.0900  -29.8200
            24  C1y C    27.5800  -23.4500
            25  C1y C    28.9800  -23.4500
            26  C1y C    29.4000  -22.1200
            27  O2x O    28.2800  -21.2800
            28  C1y C    27.1600  -22.1200
            29  C1b C    30.7300  -21.7000
            30  O1a O    26.7400  -24.5700
            31  O2b O    29.8200  -24.5700
            32  P1b P    31.2200  -24.5700
            33  O1c O    31.2200  -23.1700
            34  O1c O    32.6200  -24.5700
            35  O1c O    31.2200  -25.9700
            36  C8y C    23.0300  -20.3000
            37  C8y C    23.0300  -21.7000
            38  N4y N    25.4800  -21.7000
            39  C8x C    25.4800  -20.3000
            40  N5x N    24.2200  -19.6000
            41  C8y C    21.8400  -19.6000
            42  N5x N    20.5800  -20.3000
            43  C8x C    20.5800  -21.7000
            44  N5x N    21.8400  -22.4000
            45  N1a N    21.8400  -18.2000
            46  O2b O    32.6900  -22.1200
            47  P1b P    34.0900  -22.1200
            48  O1c O    34.0900  -20.7200
            49  O1c O    35.4900  -22.1200
            50  O2c O    34.0900  -25.3400
            51  O5a O    17.0800  -26.3900
            52  C1c C    14.6300  -27.7900
            53  C1b C    13.5100  -28.4200
            54  O1a O    14.6300  -26.4600
            55  C1b C    12.3900  -27.7900
            56  C1b C    11.2000  -28.4200
            57  C6a C    10.0100  -27.7900
            58  O6a O    10.0100  -26.4600
            59  O6a O     8.8900  -28.4200
BOND        61
            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    7  16 2
            16   11  17 2
            17   12  18 1 #Down
            18   13  19 1
            19   13  20 1
            20   15  21 1
            21   21  22 2
            22   21  23 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   24  28 1
            28   26  29 1 #Down
            29   24  30 1 #Up
            30   25  31 1 #Up
            31   31  32 1
            32   32  33 1
            33   32  34 1
            34   32  35 2
            35   36  37 2
            36   37  38 1
            37   38  39 1
            38   39  40 2
            39   36  40 1
            40   36  41 1
            41   41  42 2
            42   42  43 1
            43   43  44 2
            44   37  44 1
            45   41  45 1
            46   28  38 1 #Down
            47   29  46 1
            48   46  47 1
            49   47  48 1
            50   47  49 2
            51   47  50 1
            52   21  50 1
            53    2  51 2
            54    1  52 1
            55   52  53 1
            56   52  54 1
            57   53  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   57  59 2

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