KEGG   COMPOUND: C02232Help
Entry
C02232                      Compound                               

Name
3-Oxoadipyl-CoA;
beta-Ketoadipyl-CoA
Formula
C27H42N7O20P3S
Exact mass
909.1418
Mol weight
909.6436
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylalanine metabolism
Benzoate degradation
Caprolactam degradation
Metabolic pathways
Microbial metabolism in diverse environments
Enzyme
1.1.1.35        1.1.1.157       2.3.1.16        2.3.1.174       
2.8.3.6
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   C1b C    31.2900  -33.1100
            2   C5a C    32.5500  -32.4100
            3   S2a S    33.7400  -33.1100
            4   C1b C    34.9300  -32.4100
            5   C1b C    36.1900  -33.1100
            6   N1b N    37.3800  -32.4100
            7   C5a C    38.5700  -33.1100
            8   C1b C    39.8300  -32.4100
            9   C1b C    41.0200  -33.1100
            10  N1b N    42.2100  -32.4100
            11  C5a C    43.4700  -33.1100
            12  C1c C    44.6600  -32.4100
            13  C1d C    45.8500  -33.1100
            14  C1b C    47.0400  -32.4100
            15  O2b O    48.3000  -33.1100
            16  O5a O    32.5500  -31.0800
            17  O5a O    38.5700  -34.5100
            18  O5a O    43.4700  -34.5100
            19  O1a O    44.6600  -31.0100
            20  C1a C    45.8500  -31.7100
            21  C1a C    45.8500  -34.5100
            22  P1b P    49.7000  -33.1100
            23  O1c O    51.1000  -33.1100
            24  O1c O    49.7000  -34.5100
            25  C1y C    43.1900  -28.1400
            26  C1y C    44.5900  -28.1400
            27  C1y C    45.0100  -26.8100
            28  O2x O    43.8900  -25.9700
            29  C1y C    42.7700  -26.8100
            30  C1b C    46.3400  -26.3900
            31  O1a O    42.3500  -29.2600
            32  O2b O    45.4300  -29.2600
            33  P1b P    46.8300  -29.2600
            34  O1c O    46.8300  -27.8600
            35  O1c O    48.2300  -29.2600
            36  O1c O    46.8300  -30.6600
            37  C8y C    38.6400  -24.9900
            38  C8y C    38.6400  -26.3900
            39  N4y N    41.0900  -26.3900
            40  C8x C    41.0900  -24.9900
            41  N5x N    39.8300  -24.2900
            42  C8y C    37.4500  -24.2900
            43  N5x N    36.1900  -24.9900
            44  C8x C    36.1900  -26.3900
            45  N5x N    37.4500  -27.0900
            46  N1a N    37.4500  -22.8900
            47  O2b O    48.3000  -26.8100
            48  P1b P    49.7000  -26.8100
            49  O1c O    49.7000  -25.4100
            50  O1c O    51.1000  -26.8100
            51  O2c O    49.7000  -30.0300
            52  C5a C    30.1700  -32.4800
            53  C1b C    29.0500  -33.1100
            54  O5a O    30.1700  -31.1500
            55  C1b C    27.9300  -32.4800
            56  C6a C    26.8100  -33.1100
            57  O6a O    26.8100  -34.3700
            58  O6a O    25.6900  -32.4800
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  53 1
            56   52  54 2
            57   53  55 1
            58   55  56 1
            59   56  57 2
            60   56  58 1

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