KEGG   COMPOUND: C21292
Entry
C21292                      Compound                               

Name
Maduropeptin chromophore;
(-)-Maduropeptin chromophore
Formula
C40H43ClN2O12
Exact mass
778.2505
Mol weight
779.2286
Structure
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 318172272
KCF data

ATOM        55
            1   C1z C    18.2700  -11.2000
            2   C2y C    18.6900   -9.9400
            3   C2x C    17.6400   -9.1700
            4   C1x C    16.5200   -9.9400
            5   C1y C    16.9400  -11.2000
            6   C2y C    22.3300  -10.8500
            7   C1y C    22.3300  -12.1800
            8   C0  C    21.0700  -10.5000
            9   C0  C    19.8100  -10.2200
            10  C0  C    21.0700  -12.6000
            11  C0  C    19.9500  -12.6000
            12  C1y C    18.6900  -12.6000
            13  O1a O    16.1700  -12.2500
            14  O2a O    17.4300  -12.6000
            15  C1y C    16.5900  -13.9300
            16  C1y C    15.1900  -13.9300
            17  C1z C    14.4900  -15.1200
            18  C1y C    15.1900  -16.3800
            19  C1x C    16.5900  -16.3800
            20  O2x O    17.2900  -15.1200
            21  N1b N    14.4900  -17.5700
            22  C2x C    23.4446  -10.0028
            23  O1a O    14.4949  -12.7147
            24  C5a C    14.4900  -18.9700
            25  C8y C    13.2776  -19.6700
            26  O5a O    15.7024  -19.6700
            27  C8y C    12.0821  -18.9796
            28  C8x C    10.8696  -19.6795
            29  C8x C    10.8694  -21.0795
            30  C8y C    12.0649  -21.7699
            31  C8y C    13.2774  -21.0700
            32  C1a C    12.0820  -17.5703
            33  C1a C    12.0647  -23.1698
            34  O1a O    14.5066  -21.7800
            35  O1a O    13.2076  -14.3500
            36  C1a C    13.1377  -15.6223
            37  C1x C    25.2327  -10.5474
            38  N1x N    25.2327  -11.9474
            39  O2a O    23.4657  -12.9986
            40  C1a C    23.4657  -14.3986
            41  C8y C    21.1400  -17.0800
            42  C8y C    21.1400  -18.4800
            43  C8y C    22.3524  -19.1800
            44  C8x C    23.5649  -18.4800
            45  C8x C    23.5649  -17.0800
            46  C8y C    22.3524  -16.3800
            47  C1y C    22.3524  -20.5800
            48  O1a O    21.1233  -21.2898
            49  C1x C    23.5480  -21.2703
            50  C5x C    25.2252  -20.5848
            51  O5x O    26.4866  -21.2728
            52  X   Cl   19.9276  -19.1800
            53  O2x O    19.7876  -16.3800
            54  O2a O    22.3524  -14.9802
            55  C1a C    21.1232  -14.2703
BOND        60
            1     6   7 1
            2     6   8 1
            3     8   9 3
            4     9   2 1
            5     7  10 1
            6    10  11 3
            7     1  12 1
            8    12  11 1
            9     1   2 1
            10    2   3 2
            11    3   4 1
            12    4   5 1
            13    5   1 1
            14    5  13 1 #Down
            15    1  14 1 #Down
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   15  20 1
            22   18  21 1 #Up
            23   15  14 1 #Down
            24    6  22 2
            25   16  23 1 #Up
            26   21  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   25  31 1
            35   27  32 1
            36   30  33 1
            37   31  34 1
            38   17  35 1 #Up
            39   17  36 1 #Down
            40   22  37 1
            41   37  38 1
            42    7  39 1 #Down
            43   39  40 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  45 1
            48   45  46 2
            49   41  46 1
            50   43  47 1
            51   47  48 1 #Up
            52   47  49 1
            53   49  50 1
            54   50  51 2
            55   42  52 1
            56   41  53 1
            57   46  54 1
            58   38  50 1
            59   54  55 1
            60   12  53 1 #Up

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