KEGG   COMPOUND: C14116
Entry
C14116                      Compound                               

Name
Naphthyl-2-methyl-succinyl-CoA
Formula
C36H48N7O19P3S
Exact mass
1007.1939
Mol weight
1007.7881
Structure
Reaction
Pathway
map00626  Naphthalene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.99.-        2.8.3.-
Other DBs
CAS: 830357-87-4
PubChem: 854352
ChEBI: 34884
NIKKAJI: J2.787.884I
LinkDB
KCF data

ATOM        66
            1   S2a S    31.5000  -26.4600
            2   C1b C    32.6900  -25.7600
            3   C1b C    33.9500  -26.4600
            4   N1b N    35.1400  -25.7600
            5   C5a C    36.3300  -26.4600
            6   C1b C    37.5900  -25.7600
            7   C1b C    38.7800  -26.4600
            8   N1b N    39.9700  -25.7600
            9   C5a C    41.2300  -26.4600
            10  C1c C    42.4200  -25.7600
            11  C1d C    43.6100  -26.4600
            12  C1b C    44.8000  -25.7600
            13  O2b O    46.0600  -26.4600
            14  O5a O    36.3300  -27.8600
            15  O5a O    41.2300  -27.8600
            16  O1a O    42.4200  -24.3600
            17  C1a C    43.6100  -25.0600
            18  C1a C    43.6100  -27.8600
            19  P1b P    47.4600  -26.4600
            20  O1c O    48.8600  -26.4600
            21  O1c O    47.4600  -27.8600
            22  C1y C    40.9500  -21.4900
            23  C1y C    42.3500  -21.4900
            24  C1y C    42.7700  -20.1600
            25  O2x O    41.6500  -19.3200
            26  C1y C    40.5300  -20.1600
            27  C1b C    44.1000  -19.7400
            28  O1a O    40.1100  -22.6100
            29  O2b O    43.1900  -22.6100
            30  P1b P    44.5900  -22.6100
            31  O1c O    44.5900  -21.2100
            32  O1c O    45.9900  -22.6100
            33  O1c O    44.5900  -24.0100
            34  C8y C    36.4000  -18.3400
            35  C8y C    36.4000  -19.7400
            36  N4y N    38.8500  -19.7400
            37  C8x C    38.8500  -18.3400
            38  N5x N    37.5900  -17.6400
            39  C8y C    35.2100  -17.6400
            40  N5x N    33.9500  -18.3400
            41  C8x C    33.9500  -19.7400
            42  N5x N    35.2100  -20.4400
            43  N1a N    35.2100  -16.2400
            44  O2b O    46.0600  -20.1600
            45  P1b P    47.4600  -20.1600
            46  O1c O    47.4600  -18.7600
            47  O1c O    48.8600  -20.1600
            48  O2c O    47.4600  -23.3800
            49  C5a C    30.3100  -25.7600
            50  C1c C    29.1200  -26.4600
            51  O5a O    30.3100  -24.3600
            52  C1b C    27.9300  -25.7600
            53  C8y C    26.7400  -26.4600
            54  C1b C    29.1200  -27.8600
            55  C8x C    25.5500  -25.7600
            56  C8y C    24.2900  -26.4600
            57  C8y C    24.2900  -27.8600
            58  C8x C    25.4800  -28.5600
            59  C8x C    26.7400  -27.8600
            60  C8x C    23.1000  -25.7600
            61  C8x C    21.9100  -26.4600
            62  C8x C    21.9100  -27.8600
            63  C8x C    23.1000  -28.5600
            64  C6a C    30.3100  -28.5600
            65  O6a O    31.5000  -27.8600
            66  O6a O    30.3100  -29.9600
BOND        70
            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   53  55 2
            58   55  56 1
            59   56  57 2
            60   57  58 1
            61   58  59 2
            62   53  59 1
            63   56  60 1
            64   60  61 2
            65   61  62 1
            66   62  63 2
            67   57  63 1
            68   54  64 1
            69   64  65 1
            70   64  66 2

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