KEGG   COMPOUND: C12008Help
Entry
C12008                      Compound                               

Name
Ramoplanin A2
Formula
C119H154ClN21O40
Exact mass
2552.035
Mol weight
2554.0658
Structure
Mol fileKCF fileDB search
Pathway
map02020  Two-component system
Other DBs
CAS: 81988-88-7
PubChem: 14167
ChEBI: 29670
NIKKAJI: J369.929C
LinkDB All DBs
KCF data Show

ATOM        181
            1   C1y C    10.9445  -25.9488
            2   C1y C    10.9445  -27.3443
            3   C1y C     9.7332  -28.0421
            4   C1y C     8.5286  -27.3443
            5   C1y C     8.5286  -25.9488
            6   O2x O     9.7332  -25.2510
            7   O2a O    12.1528  -25.2503
            8   O1a O     7.3196  -28.0411
            9   O2a O    12.1528  -28.0426
            10  O1a O     9.7313  -29.4377
            11  C1b C     7.3196  -25.2518
            12  O1a O     6.1115  -25.9505
            13  C1y C    12.1521  -29.4382
            14  C1y C    13.3584  -30.1385
            15  C1y C    13.3577  -31.5340
            16  C1y C    12.1488  -32.2311
            17  C1y C    10.9406  -31.5327
            18  O2x O    10.9413  -30.1371
            19  O1a O    12.1481  -33.6267
            20  O1a O    14.5680  -29.4424
            21  C1b C     9.7317  -32.2299
            22  O1a O    14.5660  -32.2323
            23  C1c C     8.5159  -18.9844
            24  C5a C     9.7281  -19.6822
            25  N1b N    10.9405  -18.9844
            26  C1c C    12.1528  -19.6822
            27  C5a C    13.3581  -18.9844
            28  N1b N    14.5775  -19.6822
            29  C1c C    15.7828  -18.9844
            30  C5a C    16.9880  -19.6822
            31  N1b N    18.2002  -18.9844
            32  C1c C    19.4124  -19.6822
            33  C5a C    20.6247  -18.9844
            34  N1b N    21.8300  -19.6822
            35  C1b C    23.0494  -18.9844
            36  C5a C    24.2547  -19.6822
            37  N1b N    25.4669  -18.9844
            38  C1c C    26.6721  -19.6822
            39  C5a C    27.8916  -18.9844
            40  N1b N    29.0968  -19.6822
            41  C1c C    30.3092  -18.9844
            42  C1a C    31.5214  -19.6822
            43  O5a O     9.7281  -21.0708
            44  C8y C    12.1528  -21.0708
            45  O5a O    13.3581  -17.5888
            46  C1c C    15.7828  -17.3088
            47  O1a O    16.9914  -16.6182
            48  C1a C    14.5743  -16.6182
            49  O5a O    16.9880  -21.0708
            50  C8y C    19.4124  -21.0708
            51  O5a O    20.6247  -17.5888
            52  O5a O    24.2547  -21.0708
            53  C1b C    26.6721  -21.5608
            54  C1c C    27.8950  -22.2584
            55  C1a C    27.8950  -23.6470
            56  C1a C    29.1036  -21.5608
            57  C8x C    10.9372  -21.7684
            58  C8x C    10.9372  -23.1570
            59  C8y C    12.1528  -23.8548
            60  C8x C    13.3614  -23.1570
            61  C8x C    13.3614  -21.7684
            62  C8x C    18.1970  -21.7684
            63  C8x C    18.1970  -23.1570
            64  C8y C    19.4124  -23.8548
            65  C8x C    20.6281  -23.1570
            66  C8x C    20.6281  -21.7684
            67  O1a O    19.4124  -25.2503
            68  C1b C     7.3066  -19.6806
            69  C1b C     7.3049  -21.0693
            70  C1b C     6.0851  -21.7655
            71  N1a N     6.0834  -23.1541
            72  O5a O    27.8916  -17.5888
            73  C5a C    30.3092  -17.5888
            74  N1b N    31.5247  -16.8982
            75  O5a O    29.0936  -16.8982
            76  C1c C    31.8808  -15.5449
            77  O6a O    29.7804  -14.3364
            78  C7a C    31.1830  -14.3364
            79  O7a O    31.8808  -13.1348
            80  C1c C    11.3162  -11.1148
            81  N1b N    12.5283  -10.4169
            82  C5a C    13.7405  -11.1077
            83  C1c C    14.9458  -10.4098
            84  N1b N    16.1652  -11.1006
            85  C5a C    17.3705  -10.4098
            86  C1c C    18.5828  -11.0937
            87  N1b N    19.7881  -10.4029
            88  C5a C    21.0004  -11.0935
            89  C1c C    22.2126  -10.3958
            90  N1b N    23.4179  -11.0864
            91  C5a C    24.6371  -10.3887
            92  C1c C    25.8424  -11.0795
            93  N1b N    27.0547  -10.3817
            94  C5a C    28.2600  -11.0653
            95  C1c C    29.4793  -10.3677
            96  N1b N    30.6845  -11.0582
            97  C5a C    31.8969  -10.3675
            98  O5a O    13.7436  -12.5031
            99  C8y C    15.0127   -9.0214
            100 O5a O    17.3674   -9.0142
            101 C8y C    18.5859  -12.4891
            102 O5a O    21.0035  -12.4820
            103 C1c C    22.2096   -8.7202
            104 O1a O    23.4236   -8.0267
            105 C1a C    20.9923   -8.0321
            106 O5a O    24.6272   -9.0002
            107 C1b C    25.8454  -12.4610
            108 C1b C    24.6383  -13.1613
            109 C1b C    24.6414  -14.5569
            110 N1a N    23.4204  -15.2502
            111 O5a O    28.2630  -12.4610
            112 C8y C    29.4762   -8.9862
            113 C1c C    33.1133  -11.0568
            114 O5a O    31.8952   -8.9720
            115 C1c C    33.0950  -12.4470
            116 N1b N    34.3243  -10.3633
            117 C5a C    34.3290   -8.9747
            118 C1c C    35.5471   -8.2811
            119 O5a O    33.1229   -8.2728
            120 N1b N    36.7603   -8.9901
            121 C1b C    35.5590   -6.8998
            122 C5a C    34.3387   -6.1976
            123 O5a O    34.3436   -4.8024
            124 N1a N    33.1277   -6.8844
            125 C5a C    38.1628   -8.9862
            126 C2b C    38.8638  -10.1857
            127 O5a O    38.8569   -7.7757
            128 C2b C    40.2631  -10.2543
            129 C2b C    40.9668   -8.9750
            130 C2b C    42.3564   -8.9720
            131 C1b C    43.0584   -7.7691
            132 C1c C    44.4567   -7.7669
            133 C1a C    45.1565   -8.9672
            134 C1a C    45.1526   -6.5571
            135 C5a C    34.3121  -13.1473
            136 O5a O    34.2938  -14.3808
            137 N1a N    35.5263  -12.4664
            138 C8x C    30.6854   -8.2894
            139 C8x C    30.6823   -6.9011
            140 C8y C    29.4651   -6.2057
            141 C8x C    28.2581   -6.9064
            142 C8x C    28.2542   -8.2946
            143 O1a O    29.4620   -4.8105
            144 C8x C    17.3767  -13.1828
            145 C8x C    17.3798  -14.5711
            146 C8y C    18.5899  -15.2663
            147 C8x C    19.8111  -14.5729
            148 C8x C    19.8080  -13.1776
            149 O1a O    18.5898  -16.6546
            150 C8x C    16.2361   -8.3248
            151 C8x C    16.2259   -6.9432
            152 C8y C    15.0087   -6.2480
            153 C8x C    13.8017   -6.9485
            154 C8x C    13.8048   -8.3300
            155 O1a O    15.0087   -4.8487
            156 C1c C    10.0996  -10.4183
            157 O1a O    10.0979   -9.0367
            158 C5a C    11.3179  -12.5102
            159 N1b N    10.1030  -13.2024
            160 O5a O    12.5341  -13.1995
            161 C1c C     9.3707  -14.5472
            162 N1b N     8.5176  -17.5888
            163 C5a C     9.9487  -16.0977
            164 O5a O    11.3223  -16.3809
            165 C1b C     7.9844  -14.4489
            166 C8y C     7.2122  -15.5907
            167 C8x C     5.8150  -15.4912
            168 C8x C     5.0307  -16.6509
            169 C8x C     5.6429  -17.9100
            170 C8x C     7.0400  -18.0094
            171 C8x C     7.8243  -16.8497
            172 C1a C     8.8691  -11.1326
            173 O1a O     8.5054  -31.5215
            174 C8y C    35.4508  -15.5449
            175 C8x C    36.1406  -16.7403
            176 C8y C    37.5406  -16.7407
            177 C8y C    38.2409  -15.5284
            178 C8x C    37.5511  -14.3330
            179 C8x C    36.1511  -14.3326
            180 O1a O    39.6200  -15.5289
            181 X   Cl   38.2304  -17.9364
BOND        190
            1     2   3 1
            2    13  14 1
            3    14  15 1
            4    15  16 1
            5    16  17 1
            6    17  18 1
            7    18  13 1
            8     2   9 1 #Up
            9    16  19 1 #Down
            10    3   4 1
            11   14  20 1 #Up
            12    3  10 1 #Up
            13   17  21 1 #Up
            14    4   5 1
            15    5  11 1 #Up
            16   15  22 1 #Up
            17    5   6 1
            18   11  12 1
            19    6   1 1
            20   13   9 1 #Down
            21    1   7 1 #Down
            22    1   2 1
            23    4   8 1 #Down
            24   83  99 1 #Up
            25   85 100 2
            26   54  56 1
            27   86 101 1 #Up
            28   32  33 1
            29   88 102 2
            30   89 103 1
            31   33  34 1
            32  103 104 1
            33  103 105 1 #Up
            34   34  35 1
            35   91 106 2
            36   44  57 2
            37   92 107 1 #Down
            38   57  58 1
            39  107 108 1
            40   58  59 2
            41  108 109 1
            42   59  60 1
            43  109 110 1
            44   60  61 2
            45   94 111 2
            46   61  44 1
            47   95 112 1 #Up
            48   97 113 1
            49   35  36 1
            50   97 114 2
            51  113 115 1
            52   36  37 1
            53  113 116 1 #Up
            54  116 117 1
            55   50  62 2
            56  117 118 1
            57   62  63 1
            58  117 119 2
            59   63  64 2
            60  118 120 1 #Down
            61   64  65 1
            62  118 121 1
            63   65  66 2
            64  121 122 1
            65   66  50 1
            66  122 123 2
            67   37  38 1
            68  122 124 1
            69   64  67 1
            70  120 125 1
            71   23  24 1
            72  125 126 1
            73   59   7 1
            74  125 127 2
            75   38  39 1
            76  126 128 2
            77   23  68 1 #Up
            78  128 129 1
            79  129 130 2
            80   68  69 1
            81  130 131 1
            82   39  40 1
            83  131 132 1
            84   69  70 1
            85  132 133 1
            86   24  25 1
            87  132 134 1
            88  115  79 1
            89   70  71 1
            90   40  41 1
            91   39  72 2
            92   41  42 1 #Up
            93   41  73 1
            94   25  26 1
            95   73  74 1
            96  115 135 1 #Up
            97   24  43 2
            98  135 136 2
            99   73  75 2
            100 135 137 1
            101  74  76 1
            102  26  44 1 #Down
            103  26  27 1
            104  77  78 2
            105 112 138 2
            106 138 139 1
            107 139 140 2
            108 140 141 1
            109 141 142 2
            110 142 112 1
            111  27  45 2
            112 140 143 1
            113  78  79 1
            114  78  76 1
            115  29  46 1
            116  80  81 1 #Down
            117 101 144 2
            118 144 145 1
            119 145 146 2
            120 146 147 1
            121 147 148 2
            122 148 101 1
            123  27  28 1
            124 146 149 1
            125  81  82 1
            126  46  47 1
            127  82  83 1
            128  83  84 1
            129  99 150 2
            130 150 151 1
            131 151 152 2
            132 152 153 1
            133 153 154 2
            134 154  99 1
            135  46  48 1 #Up
            136 152 155 1
            137  84  85 1
            138  80 156 1
            139  29  28 1 #Down
            140 156 157 1
            141  85  86 1
            142  30  49 2
            143  80 158 1
            144  86  87 1
            145 158 159 1
            146 158 160 2
            147  87  88 1
            148 159 161 1
            149  32  50 1 #Down
            150  23 162 1
            151  88  89 1
            152 161 163 1
            153 163 162 1
            154  29  30 1
            155  89  90 1 #Up
            156 163 164 2
            157  33  51 2
            158  90  91 1
            159  91  92 1
            160  36  52 2
            161  92  93 1
            162  30  31 1
            163  93  94 1
            164  38  53 1 #Down
            165  94  95 1
            166  95  96 1
            167  53  54 1
            168  96  97 1
            169  31  32 1
            170  82  98 2
            171  54  55 1
            172 161 165 1 #Down
            173 165 166 1
            174 166 167 2
            175 167 168 1
            176 168 169 2
            177 169 170 1
            178 170 171 2
            179 166 171 1
            180 156 172 1 #Down
            181  21 173 1
            182  76 174 1 #Down
            183 174 175 2
            184 175 176 1
            185 176 177 2
            186 177 178 1
            187 178 179 2
            188 174 179 1
            189 177 180 1
            190 176 181 1

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