KEGG   COMPOUND: C14539
Entry
C14539                      Compound                               

Name
Krm 1657
Formula
C50H62N4O13
Exact mass
926.4313
Mol weight
927.0463
Structure
Pathway
map07023  Rifamycins
Other DBs
CAS: 133633-12-2
PubChem: 17395539
ChEBI: 34806
NIKKAJI: J406.602B
LinkDB
KCF data

ATOM        67
            1   C8y C    22.5349  -15.7158
            2   C8y C    22.5288  -17.0922
            3   C8y C    21.3500  -17.7840
            4   C5x C    21.3513  -19.1630
            5   C8y C    20.1421  -17.1076
            6   C1c C    18.9675  -15.0502
            7   C8y C    20.1455  -15.7414
            8   C8y C    21.3420  -15.0697
            9   C1c C    18.9787  -13.6801
            10  C1c C    20.1681  -13.0013
            11  C1c C    21.3772  -10.9656
            12  C1c C    20.1819  -11.6338
            13  C1c C    22.5519  -11.6578
            14  O1a O    22.5365  -13.0191
            15  C1c C    23.7426  -10.9870
            16  C2b C    24.9108  -11.6844
            17  C2c C    27.2439  -13.0696
            18  C2b C    27.2607  -11.7137
            19  C2b C    26.0907  -11.0175
            20  C5a C    26.0641  -13.7364
            21  C8y C    23.7024  -15.0430
            22  C8y C    24.8554  -15.7348
            23  N1b N    26.0397  -15.0851
            24  O5x O    22.3261  -20.1363
            25  C1c C    17.7675  -15.7300
            26  C2b C    17.7641  -17.1013
            27  C2b C    16.5781  -17.7803
            28  O2a O    16.5686  -19.1475
            29  C1z C    18.9382  -19.1640
            30  O2x O    18.9477  -17.7967
            31  C1a C    18.9297  -20.5368
            32  C1a C    28.4243  -13.7691
            33  O2a O    16.5806  -15.1114
            34  C1a C    15.3821  -15.7919
            35  C1a C    17.8351  -14.1437
            36  C1a C    21.3913   -9.5823
            37  C1a C    23.7509   -9.6108
            38  O7a O    17.7881  -12.9786
            39  O1a O    19.0012  -10.9275
            40  C7a C    16.5933  -12.2926
            41  C1a C    15.3979  -12.9786
            42  O6a O    16.5918  -10.9162
            43  O5x O    23.7126  -13.8766
            44  O1a O    21.3295  -13.6901
            45  C1a C    19.0421  -12.0337
            46  O5a O    24.8784  -13.0266
            47  C8y C    24.8433  -17.0878
            48  C8y C    23.7233  -17.7798
            49  N5x N    23.7231  -19.1570
            50  O2x O    26.1032  -17.7803
            51  C8y C    26.1029  -19.1575
            52  C8y C    24.9145  -19.8355
            53  C8y C    24.9091  -21.2149
            54  C8x C    26.0920  -21.9024
            55  C8y C    27.2875  -21.2242
            56  C8x C    27.2929  -19.8450
            57  N1y N    28.4724  -21.9130
            58  C1x C    28.4670  -23.2894
            59  C1x C    29.6605  -23.9858
            60  N1y N    30.8524  -23.2989
            61  C1x C    30.8578  -21.9225
            62  C1x C    29.6715  -21.2261
            63  C1b C    32.0458  -23.9953
            64  C1b C    33.2377  -23.3082
            65  C1a C    34.4311  -24.0046
            66  O1a O    23.7174  -21.8949
            67  C1a C    20.1367  -14.6194
BOND        73
            1     3   2 1
            2    17  32 1
            3    30   5 1
            4    25  33 1 #Down
            5    13  14 1 #Down
            6    33  34 1
            7    16  15 1
            8     6  35 1 #Down
            9    12  39 1 #Down
            10   15  13 1
            11   11  36 1 #Down
            12    5   7 1
            13   15  37 1 #Up
            14    6  25 1
            15    9  38 1 #Up
            16    1   2 2
            17    2  48 1
            18   38  40 1
            19   20  17 1
            20   40  41 1
            21   17  18 2
            22   40  42 2
            23   18  19 1
            24   21  43 2
            25   19  16 2
            26    8  44 1
            27   47  22 2
            28   10  45 1 #Up
            29   21   1 1
            30   20  46 2
            31    7   8 2
            32   10   9 1
            33   21  22 1
            34   22  23 1
            35   47  48 1
            36   48  49 2
            37   49  52 1
            38   51  50 1
            39   50  47 1
            40   23  20 1
            41    9   6 1
            42    4  24 2
            43    1   8 1
            44   26  25 1
            45   51  52 2
            46   52  53 1
            47   53  54 2
            48   54  55 1
            49   55  56 2
            50   56  51 1
            51    3   5 2
            52   13  11 1
            53   11  12 1
            54   12  10 1
            55   26  27 2
            56   27  28 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   60  61 1
            61   61  62 1
            62   62  57 1
            63   55  57 1
            64   29  30 1
            65   60  63 1
            66   28  29 1
            67   63  64 1
            68   29   4 1
            69   64  65 1
            70    4   3 1
            71   53  66 1
            72   29  31 1 #Down
            73    7  67 1

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