KEGG   COMPOUND: C06723Help
Entry
C06723                      Compound                               

Name
6-Carboxyhex-2-enoyl-CoA;
2,3-Didehydro-pimeloyl-CoA
Formula
C28H44N7O19P3S
Exact mass
907.1626
Mol weight
907.6707
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Microbial metabolism in diverse environments
Enzyme
1.3.1.62        4.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   C2b C    32.6200  -30.7300
            2   C5a C    33.8800  -30.0300
            3   S2a S    35.0700  -30.7300
            4   C1b C    36.2600  -30.0300
            5   C1b C    37.5200  -30.7300
            6   N1b N    38.7100  -30.0300
            7   C5a C    39.9000  -30.7300
            8   C1b C    41.1600  -30.0300
            9   C1b C    42.3500  -30.7300
            10  N1b N    43.5400  -30.0300
            11  C5a C    44.8000  -30.7300
            12  C1c C    45.9900  -30.0300
            13  C1d C    47.1800  -30.7300
            14  C1b C    48.3700  -30.0300
            15  O2b O    49.6300  -30.7300
            16  O5a O    33.8800  -28.6300
            17  O5a O    39.9000  -32.1300
            18  O5a O    44.8000  -32.1300
            19  O1a O    45.9900  -28.6300
            20  C1a C    47.1800  -29.3300
            21  C1a C    47.1800  -32.1300
            22  P1b P    51.0300  -30.7300
            23  O1c O    52.4300  -30.7300
            24  O1c O    51.0300  -32.1300
            25  C1y C    44.5200  -25.7600
            26  C1y C    45.9200  -25.7600
            27  C1y C    46.3400  -24.4300
            28  O2x O    45.2200  -23.5900
            29  C1y C    44.1000  -24.4300
            30  C1b C    47.6700  -24.0100
            31  O1a O    43.6800  -26.8800
            32  O2b O    46.7600  -26.8800
            33  P1b P    48.1600  -26.8800
            34  O1c O    48.1600  -25.4800
            35  O1c O    49.5600  -26.8800
            36  O1c O    48.1600  -28.2800
            37  C8y C    39.9700  -22.6100
            38  C8y C    39.9700  -24.0100
            39  N4y N    42.4200  -24.0100
            40  C8x C    42.4200  -22.6100
            41  N5x N    41.1600  -21.9100
            42  C8y C    38.7800  -21.9100
            43  N5x N    37.5200  -22.6100
            44  C8x C    37.5200  -24.0100
            45  N5x N    38.7800  -24.7100
            46  N1a N    38.7800  -20.5100
            47  O2b O    49.6300  -24.4300
            48  P1b P    51.0300  -24.4300
            49  O1c O    51.0300  -23.0300
            50  O1c O    52.4300  -24.4300
            51  O2c O    51.0300  -27.6500
            52  C2b C    31.4300  -30.0300
            53  C1b C    30.2400  -30.7300
            54  C1b C    29.0500  -30.0300
            55  C1b C    27.7900  -30.7300
            56  C6a C    26.6000  -30.0300
            57  O6a O    25.4100  -30.7300
            58  O6a O    26.6000  -28.6300
BOND        60
            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 2
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   56  58 2

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