KEGG   COMPOUND: C09821Help
Entry
C09821                      Compound                               

Name
6-Oxocyclohex-1-ene-1-carbonyl-CoA;
6-Ketoxycyclohex-1-ene-1-carboxyl-CoA
Formula
C28H42N7O18P3S
Exact mass
889.152
Mol weight
889.6555
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
1.1.1.368       3.7.1.21
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   S2a S    17.9900  -26.1800
            2   C1b C    19.1800  -25.4800
            3   C1b C    20.4400  -26.1800
            4   N1b N    21.6300  -25.4800
            5   C5a C    22.8200  -26.1800
            6   C1b C    24.0800  -25.4800
            7   C1b C    25.2700  -26.1800
            8   N1b N    26.4600  -25.4800
            9   C5a C    27.7200  -26.1800
            10  C1c C    28.9100  -25.4800
            11  C1d C    30.1000  -26.1800
            12  C1b C    31.2900  -25.4800
            13  O2b O    32.5500  -26.1800
            14  O5a O    22.8200  -27.5800
            15  O5a O    27.7200  -27.5800
            16  O1a O    28.9100  -24.0800
            17  C1a C    30.1000  -24.7800
            18  C1a C    30.1000  -27.5800
            19  P1b P    33.9500  -26.1800
            20  O1c O    35.3500  -26.1800
            21  O1c O    33.9500  -27.5800
            22  C1y C    27.4400  -21.2100
            23  C1y C    28.8400  -21.2100
            24  C1y C    29.2600  -19.8800
            25  O2x O    28.1400  -19.0400
            26  C1y C    27.0200  -19.8800
            27  C1b C    30.5900  -19.4600
            28  O1a O    26.6000  -22.3300
            29  O2b O    29.6800  -22.3300
            30  P1b P    31.0800  -22.3300
            31  O1c O    31.0800  -20.9300
            32  O1c O    32.4800  -22.3300
            33  O1c O    31.0800  -23.7300
            34  C8y C    22.8900  -18.0600
            35  C8y C    22.8900  -19.4600
            36  N4y N    25.3400  -19.4600
            37  C8x C    25.3400  -18.0600
            38  N5x N    24.0800  -17.3600
            39  C8y C    21.7000  -17.3600
            40  N5x N    20.4400  -18.0600
            41  C8x C    20.4400  -19.4600
            42  N5x N    21.7000  -20.1600
            43  N1a N    21.7000  -15.9600
            44  O2b O    32.5500  -19.8800
            45  P1b P    33.9500  -19.8800
            46  O1c O    33.9500  -18.4800
            47  O1c O    35.3500  -19.8800
            48  O2c O    33.9500  -23.1000
            49  C5a C    16.8700  -25.5500
            50  C2y C    15.7500  -26.1800
            51  O5a O    16.8700  -24.2200
            52  C5x C    15.7500  -27.4400
            53  C2x C    14.6300  -25.5500
            54  C1x C    14.6300  -28.1400
            55  O5x O    16.8700  -28.1400
            56  C1x C    13.5100  -26.1800
            57  C1x C    13.5100  -27.5100
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    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   49  50 1
            53   49  51 2
            54   50  52 1
            55   50  53 2
            56   52  54 1
            57   52  55 2
            58   53  56 1
            59   54  57 1
            60   56  57 1

» Japanese version

DBGET integrated database retrieval system