KEGG   COMPOUND: C06715Help
Entry
C06715                      Compound                               

Name
3-Oxopimeloyl-CoA;
3-Ketopimelyl-CoA
Formula
C28H44N7O20P3S
Exact mass
923.1575
Mol weight
923.6701
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Microbial metabolism in diverse environments
Enzyme
1.1.1.35        1.1.1.259       2.3.1.16
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        59
            1   C1b C    16.0300  -22.1900
            2   C5a C    17.2900  -21.4900
            3   S2a S    18.4800  -22.1900
            4   C1b C    19.4600  -21.4900
            5   C1b C    20.7200  -22.1900
            6   N1b N    21.9100  -21.4900
            7   C5a C    23.1000  -22.1900
            8   C1b C    24.3600  -21.4900
            9   C1b C    25.5500  -22.1900
            10  N1b N    26.7400  -21.4900
            11  C5a C    28.0000  -22.1900
            12  C1c C    29.1900  -21.4900
            13  C1d C    30.3800  -22.1900
            14  C1b C    31.5700  -21.4900
            15  O2b O    32.8300  -22.1900
            16  O5a O    17.2900  -20.0900
            17  O5a O    23.1000  -23.5900
            18  O5a O    28.0000  -23.5900
            19  O1a O    29.1900  -20.0900
            20  C1a C    30.3800  -20.7900
            21  C1a C    30.3800  -23.5900
            22  P1b P    34.2300  -22.1900
            23  O1c O    35.6300  -22.1900
            24  O1c O    34.2300  -23.5900
            25  C1y C    27.7200  -17.2200
            26  C1y C    29.1200  -17.2200
            27  C1y C    29.5400  -15.8900
            28  O2x O    28.4200  -15.0500
            29  C1y C    27.3000  -15.8900
            30  C1b C    30.8700  -15.4700
            31  O1a O    26.8800  -18.3400
            32  O2b O    29.9600  -18.3400
            33  P1b P    31.3600  -18.3400
            34  O1c O    31.3600  -16.9400
            35  O1c O    32.7600  -18.3400
            36  O1c O    31.3600  -19.7400
            37  C8y C    23.1700  -14.0700
            38  C8y C    23.1700  -15.4700
            39  N4y N    25.6200  -15.4700
            40  C8x C    25.6200  -14.0700
            41  N5x N    24.3600  -13.3700
            42  C8y C    21.9800  -13.3700
            43  N5x N    20.7200  -14.0700
            44  C8x C    20.7200  -15.4700
            45  N5x N    21.9800  -16.1700
            46  N1a N    21.9800  -11.9700
            47  O2b O    32.8300  -15.8900
            48  P1b P    34.2300  -15.8900
            49  O1c O    34.2300  -14.4900
            50  O1c O    35.6300  -15.8900
            51  O2c O    34.2300  -19.1100
            52  C5a C    14.8400  -21.5600
            53  C1b C    13.6500  -22.1900
            54  O5a O    14.8400  -20.2300
            55  C1b C    12.5300  -21.5600
            56  C1b C    11.3400  -22.1900
            57  C6a C    10.2200  -21.5600
            58  O6a O    10.2200  -20.2300
            59  O6a O     9.1000  -22.1900
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    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    1  52 1
            55   52  53 1
            56   52  54 2
            57   53  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   57  59 2

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