KEGG   COMPOUND: C06749Help
Entry
C06749                      Compound                               

Name
6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;
6-Hydroxycyclohex-1-enecarbonyl-CoA;
6-Hydroxycyclohex-1-ene-1-carboxyl-CoA
Formula
C28H44N7O18P3S
Exact mass
891.1676
Mol weight
891.6713
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       4.2.1.100       4.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C2y C    29.8200  -22.1200
            2   C5a C    31.0800  -21.4200
            3   S2a S    32.2700  -22.1200
            4   C1b C    33.4600  -21.4200
            5   C1b C    34.7200  -22.1200
            6   N1b N    35.9100  -21.4200
            7   C5a C    37.1000  -22.1200
            8   C1b C    38.3600  -21.4200
            9   C1b C    39.5500  -22.1200
            10  N1b N    40.7400  -21.4200
            11  C5a C    42.0000  -22.1200
            12  C1c C    43.1900  -21.4200
            13  C1d C    44.3800  -22.1200
            14  C1b C    45.5700  -21.4200
            15  O2b O    46.8300  -22.1200
            16  O5a O    31.0800  -20.0200
            17  O5a O    37.1000  -23.5200
            18  O5a O    42.0000  -23.5200
            19  O1a O    43.1900  -20.0200
            20  C1a C    44.3800  -20.7200
            21  C1a C    44.3800  -23.5200
            22  P1b P    48.2300  -22.1200
            23  O1c O    49.6300  -22.1200
            24  O1c O    48.2300  -23.5200
            25  C1y C    41.7200  -17.1500
            26  C1y C    43.1200  -17.1500
            27  C1y C    43.5400  -15.8200
            28  O2x O    42.4200  -14.9800
            29  C1y C    41.3000  -15.8200
            30  C1b C    44.8700  -15.4000
            31  O1a O    40.8800  -18.2700
            32  O2b O    43.9600  -18.2700
            33  P1b P    45.3600  -18.2700
            34  O1c O    45.3600  -16.8700
            35  O1c O    46.7600  -18.2700
            36  O1c O    45.3600  -19.6700
            37  C8y C    37.1700  -14.0000
            38  C8y C    37.1700  -15.4000
            39  N4y N    39.6200  -15.4000
            40  C8x C    39.6200  -14.0000
            41  N5x N    38.3600  -13.3000
            42  C8y C    35.9800  -13.3000
            43  N5x N    34.7200  -14.0000
            44  C8x C    34.7200  -15.4000
            45  N5x N    35.9800  -16.1000
            46  N1a N    35.9800  -11.9000
            47  O2b O    46.8300  -15.8200
            48  P1b P    48.2300  -15.8200
            49  O1c O    48.2300  -14.4200
            50  O1c O    49.6300  -15.8200
            51  O2c O    48.2300  -19.0400
            52  C1y C    29.8200  -23.5200
            53  C2x C    28.5600  -21.4900
            54  C1x C    28.6300  -24.2900
            55  O1a O    31.0100  -24.2200
            56  C1x C    27.3700  -22.1900
            57  C1x C    27.3700  -23.5900
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 1
            55   52  54 1
            56   52  55 1
            57   53  56 1
            58   54  57 1
            59   56  57 1
            60   53   1 2

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