KEGG   COMPOUND: C21808
Entry
C21808                      Compound                               

Name
21-Phosphorifampicin
Formula
C43H59N4O15P
Exact mass
902.3715
Mol weight
902.9201
Structure
Reaction
Enzyme
KCF data

ATOM        63
            1   C5a C    44.6888  -10.8704
            2   C2c C    45.8103  -10.1694
            3   C2b C    45.8103   -8.7675
            4   C2b C    44.6888   -7.9266
            5   C1a C    47.0020  -10.8704
            6   O5a O    43.5672  -10.1694
            7   N1b N    44.6888  -12.4826
            8   C8y C    43.5672  -13.1836
            9   C8y C    43.5672  -14.5154
            10  C8y C    42.3055  -12.4826
            11  C8y C    41.1840  -13.1836
            12  C8y C    41.1840  -14.5154
            13  C8y C    42.3055  -15.2164
            14  C8y C    39.9923  -12.4826
            15  C8y C    38.8007  -13.1836
            16  C8y C    38.8007  -14.5154
            17  C8y C    39.9923  -15.2164
            18  O1a O    42.3055  -11.2908
            19  O1a O    39.9923  -11.2908
            20  O2a O    35.0159  -16.5482
            21  O2x O    37.6791  -15.2164
            22  C1z C    37.6791  -16.5482
            23  C5x C    39.9923  -16.5482
            24  C1a C    37.6791  -17.8800
            25  O1a O    42.3055  -16.5482
            26  O5x O    41.1139  -17.2492
            27  C2b C    44.6888  -15.2164
            28  N2b N    45.8804  -14.5154
            29  N1y N    47.0721  -15.2164
            30  C1x C    47.0721  -16.6183
            31  C1x C    48.2637  -17.3193
            32  N1y N    49.5254  -16.6183
            33  C1x C    49.5254  -15.2164
            34  C1x C    48.3338  -14.5154
            35  C1a C    50.7171  -17.3193
            36  C2b C    44.6888   -6.1066
            37  C1c C    43.4763   -5.4066
            38  C1c C    42.2639   -6.1066
            39  C1c C    41.0515   -5.4066
            40  C1c C    39.8390   -6.1066
            41  C1a C    43.4763   -4.0066
            42  O1a O    39.8390   -7.2266
            43  C1c C    38.6266   -5.4066
            44  C1c C    37.4314   -6.0966
            45  O2b O    42.2639   -7.2266
            46  C1a C    41.0515   -4.0066
            47  C1a C    38.6266   -4.0066
            48  C1c C    37.4314   -7.9166
            49  O7a O    36.2189   -5.3966
            50  C7a C    35.0065   -4.6966
            51  O6a O    35.0065   -3.2966
            52  C1a C    33.7921   -5.3977
            53  C1c C    36.2189   -8.8266
            54  C2b C    36.2189  -10.2266
            55  C2b C    35.0065  -10.9266
            56  O2a O    35.0065   -8.1266
            57  C1a C    33.7941   -8.8266
            58  C1a C    37.5882  -12.4836
            59  C1a C    38.4338   -8.5466
            60  P1b P    42.2639   -8.6266
            61  O1c O    40.8639   -8.6266
            62  O1c O    43.6639   -8.6266
            63  O1c O    42.1116   -9.9789
BOND        67
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     2   5 1
            5     1   6 2
            6     1   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   11  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   12  17 2
            18   10  18 1
            19   14  19 1
            20   13   9 2
            21   16  21 1
            22   21  22 1
            23   20  22 1
            24   17  23 1
            25   22  23 1
            26   22  24 1 #Down
            27   13  25 1
            28   26  23 2
            29    9  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   29  34 1
            38   32  35 1
            39    4  36 2
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   37  41 1 #Up
            45   40  42 1 #Up
            46   40  43 1
            47   43  44 1
            48   38  45 1 #Down
            49   39  46 1 #Down
            50   43  47 1 #Down
            51   44  48 1
            52   44  49 1 #Up
            53   49  50 1
            54   50  51 2
            55   50  52 1
            56   48  53 1
            57   53  54 1
            58   54  55 2
            59   53  56 1 #Down
            60   56  57 1
            61   55  20 1
            62   15  58 1
            63   48  59 1 #Down
            64   45  60 1
            65   60  61 2
            66   60  62 1
            67   60  63 1

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