KEGG   COMPOUND: C21292Help
Entry
C21292                      Compound                               

Name
Maduropeptin chromophore;
(-)-Maduropeptin chromophore
Formula
C40H43ClN2O12
Exact mass
778.2505
Mol weight
779.2286
Structure
Mol fileKCF fileDB search
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 318172272
KCF data Show

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

» Japanese version

DBGET integrated database retrieval system