KEGG   COMPOUND: C14118
Entry
C14118                      Compound                               

Name
Naphthyl-2-hydroxymethyl-succinyl CoA
Formula
C36H48N7O20P3S
Exact mass
1023.1888
Mol weight
1023.7875
Structure
Reaction
Pathway
map00626  Naphthalene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.1.-.-         4.2.1.-
Other DBs
PubChem: 854354
ChEBI: 34882
NIKKAJI: J2.788.027D
KCF data

ATOM        67
            1   C8y C    26.4292   -7.3042
            2   C8x C    26.4292   -8.1333
            3   C8x C    27.1495   -8.5500
            4   C8x C    27.1495   -6.8917
            5   C8y C    27.8657   -7.3042
            6   C8y C    27.8622   -8.1333
            7   C8x C    28.5790   -8.5530
            8   C8x C    29.2994   -8.1394
            9   C8x C    29.3030   -7.3103
            10  C8x C    28.5861   -6.8947
            11  C1c C    25.7107   -6.8913
            12  C1c C    24.9971   -7.3052
            13  C5a C    24.2818   -6.8942
            14  C1b C    24.9987   -8.1302
            15  C6a C    24.2851   -8.5441
            16  O5a O    23.5682   -7.3081
            17  O6a O    23.5698   -8.1331
            18  O6a O    24.2867   -9.3691
            19  S2a S    24.2750   -6.0667
            20  N4y N    20.2374   -1.3866
            21  C1y C    19.9270   -2.6901
            22  C8y C    18.9270   -1.3866
            23  C8x C    20.2408   -0.6315
            24  O2x O    19.3064   -2.2418
            25  C1y C    19.6995   -3.3970
            26  C8y C    18.9270   -0.6315
            27  N5x N    18.2684   -1.7728
            28  N5x N    19.5857   -0.2487
            29  C1y C    18.6960   -2.6797
            30  C1y C    18.9339   -3.3970
            31  O1a O    20.1408   -4.0004
            32  C8y C    18.2684   -0.2556
            33  C8x C    17.6201   -1.3866
            34  C1b C    17.9960   -2.4590
            35  O2b O    18.5512   -3.9349
            36  N5x N    17.6201   -0.6315
            37  N1a N    18.2684    0.4956
            38  O2b O    16.9684   -2.9453
            39  P1b P    17.7546   -3.9280
            40  P1b P    15.7719   -2.9590
            41  O1c O    17.8098   -3.2142
            42  O1c O    17.0202   -3.9453
            43  O1c O    17.7477   -4.6832
            44  O2c O    15.7719   -4.5453
            45  O1c O    15.7788   -2.2004
            46  O1c O    15.0201   -2.9453
            47  P1b P    15.7753   -6.0763
            48  O2b O    16.5581   -6.0591
            49  O1c O    15.7650   -6.9625
            50  O1c O    15.0236   -6.0625
            51  C1b C    17.2029   -5.6866
            52  C1d C    17.8546   -6.0591
            53  C1c C    18.5029   -5.6866
            54  C1a C    17.8443   -6.7280
            55  C1a C    17.8374   -5.2866
            56  C5a C    19.1546   -6.0591
            57  O1a O    18.5029   -4.9349
            58  N1b N    19.8029   -5.6866
            59  O5a O    19.1546   -6.8108
            60  C1b C    20.4512   -6.0591
            61  C1b C    21.1029   -5.6866
            62  C5a C    21.7512   -6.0591
            63  N1b N    22.3995   -5.6866
            64  O5a O    21.7512   -6.8108
            65  C1b C    23.0512   -6.0591
            66  C1b C    23.6995   -5.6832
            67  O1a O    25.7091   -6.0663
BOND        71
            1    11  12 1
            2     2   3 1
            3    12  13 1
            4     3   6 2
            5    12  14 1
            6     5   4 2
            7    14  15 1
            8     4   1 1
            9    13  16 2
            10    5   6 1
            11   15  17 2
            12    6   7 1
            13   15  18 1
            14    7   8 2
            15   13  19 1
            16    8   9 1
            17    9  10 2
            18   10   5 1
            19    1  11 1
            20   21  20 1 #Up
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 2
            26   22  27 1
            27   23  28 2
            28   24  29 1
            29   25  30 1
            30   25  31 1 #Down
            31   26  32 1
            32   27  33 2
            33   29  34 1 #Up
            34   30  35 1 #Down
            35   32  36 2
            36   32  37 1
            37   34  38 1
            38   35  39 1
            39   38  40 1
            40   39  41 1
            41   39  42 1
            42   39  43 2
            43   40  44 1
            44   40  45 1
            45   40  46 2
            46   44  47 1
            47   47  48 1
            48   47  49 1
            49   47  50 2
            50   48  51 1
            51   51  52 1
            52   52  53 1
            53   52  54 1
            54   52  55 1
            55   53  56 1
            56   53  57 1
            57   56  58 1
            58   56  59 2
            59   58  60 1
            60   60  61 1
            61   61  62 1
            62   62  63 1
            63   62  64 2
            64   63  65 1
            65   65  66 1
            66   66  19 1
            67   26  28 1
            68   29  30 1
            69   33  36 1
            70    1   2 2
            71   11  67 1

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