KEGG   COMPOUND: C14119Help
Entry
C14119                      Compound                               

Name
Naphthyl-2-oxomethyl-succinyl-CoA
Formula
C36H46N7O20P3S
Exact mass
1021.1731
Mol weight
1021.7716
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00626  Naphthalene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.1.-.-         2.3.1.-
Other DBs
PubChem: 854355
ChEBI: 34886
NIKKAJI: J2.788.028B
LinkDB All DBs
KCF data Show

ATOM        67
            1   S2a S    31.4973  -24.5700
            2   C1b C    32.7097  -23.8700
            3   C1b C    33.9222  -24.5700
            4   N1b N    35.1346  -23.8700
            5   C5a C    36.3470  -24.5700
            6   C1b C    37.5595  -23.8700
            7   C1b C    38.7719  -24.5700
            8   N1b N    39.9844  -23.8700
            9   C5a C    41.1968  -24.5700
            10  C1c C    42.4092  -23.8700
            11  C1d C    43.6217  -24.5700
            12  C1b C    44.8341  -23.8700
            13  O2b O    46.0465  -24.5700
            14  O5a O    36.3470  -25.9699
            15  O5a O    41.1968  -25.9696
            16  O1a O    42.4092  -22.4700
            17  C1a C    43.6217  -23.1700
            18  C1a C    43.6217  -25.9700
            19  P1b P    47.4465  -24.5700
            20  O1c O    48.8465  -24.5700
            21  O1c O    47.4465  -25.9700
            22  C1y C    40.9500  -19.6000
            23  C1y C    42.3500  -19.6000
            24  C1y C    42.7826  -18.2685
            25  O2x O    41.6500  -17.4456
            26  C1y C    40.5174  -18.2685
            27  C1b C    44.1022  -17.8397
            28  O1a O    40.1271  -20.7326
            29  O2b O    43.1729  -20.7326
            30  P1b P    44.5729  -20.7326
            31  O1c O    44.5729  -19.3326
            32  O1c O    45.9729  -20.7326
            33  O1c O    44.5729  -22.1326
            34  C8y C    36.4000  -16.4500
            35  C8y C    36.4000  -17.8500
            36  N4y N    38.8249  -17.8500
            37  C8x C    38.8249  -16.4500
            38  N5x N    37.6124  -15.7500
            39  C8y C    35.1876  -15.7500
            40  N5x N    33.9751  -16.4500
            41  C8x C    33.9751  -17.8500
            42  N5x N    35.1876  -18.5500
            43  N1a N    35.1876  -14.3502
            44  O2b O    46.0845  -18.2720
            45  P1b P    47.4845  -18.2720
            46  O1c O    47.4845  -16.8720
            47  O1c O    48.8845  -18.2720
            48  O2c O    47.4845  -21.4920
            49  C5a C    30.2869  -23.8712
            50  C1c C    29.0924  -24.5610
            51  O5a O    30.2868  -22.4702
            52  C5a C    27.9046  -23.8752
            53  C8y C    26.7136  -24.5631
            54  C1b C    29.0923  -25.9697
            55  O5a O    27.9044  -22.4702
            56  C8x C    25.5239  -23.8764
            57  C8y C    24.3115  -24.5765
            58  C8y C    24.3116  -25.9765
            59  C8x C    25.5013  -26.6632
            60  C8x C    26.7137  -25.9631
            61  C8x C    23.0990  -23.8765
            62  C8x C    21.8867  -24.5766
            63  C8x C    21.8868  -25.9766
            64  C8x C    23.0993  -26.6765
            65  C6a C    30.3255  -26.6819
            66  O6a O    31.5314  -25.9858
            67  O6a O    30.3252  -28.0699
BOND        71
            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   52  53 1
            56   50  54 1
            57   52  55 2
            58   53  56 2
            59   56  57 1
            60   57  58 2
            61   58  59 1
            62   59  60 2
            63   53  60 1
            64   57  61 1
            65   61  62 2
            66   62  63 1
            67   63  64 2
            68   58  64 1
            69   54  65 1
            70   65  66 1
            71   65  67 2

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