KEGG   DRUG: D01486Help
Entry
D01486                      Drug                                   

Name
Rolitetracycline nitrate (JAN/USAN)
Formula
(C27H33N3O8)2. 2HNO3. 3H2O
Exact mass
1234.4765
Mol weight
1235.204
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
Same as: 
ATC code: 
Drug group: 
Target
16S rRNA of 30S ribosomal subunit, protein synthesis inhibitor [KO:K01977]
  Pathway
ko03010  Ribosome  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA09 Rolitetracycline
      D01486  Rolitetracycline nitrate (JAN/USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   16S rRNA of 30S ribosomal subunit inhibitor
    Tetracyclines
     Rolitetracycline
      D01486  Rolitetracycline nitrate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
26657-13-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        87
            1   N2b N    41.5480  -15.8906 #+
            2   O1b O    40.3327  -16.5796
            3   O3a O    41.6121  -14.4811
            4   O3a O    42.7505  -16.5854 #-
            5   C8x C    20.2713  -16.7748
            6   C8x C    20.2713  -18.2161
            7   C8y C    21.4801  -18.9135
            8   C8x C    21.4801  -16.0774
            9   C8y C    22.6890  -16.7748
            10  C8y C    22.6890  -18.2161
            11  C5x C    23.8978  -18.9135
            12  C1z C    23.8978  -16.0774
            13  C1y C    25.1067  -16.8213
            14  C2y C    25.1067  -18.2161
            15  C2y C    26.3156  -18.9135
            16  C1x C    26.3620  -16.1239
            17  C1y C    27.5244  -16.8213
            18  C1z C    27.5244  -18.2161
            19  C5x C    28.7333  -18.9135
            20  C2y C    29.9421  -18.2626
            21  C2y C    29.9421  -16.8678
            22  C1y C    28.7797  -16.1239
            23  C5a C    31.1510  -18.9601
            24  N1b N    32.3599  -18.2626
            25  C1b C    33.5687  -18.9601
            26  N1y N    34.7775  -18.2626
            27  C1x C    36.1241  -18.7012
            28  C1x C    36.9572  -17.5980
            29  C1x C    36.1486  -16.4113
            30  C1x C    34.7891  -16.8621
            31  N1c N    28.7797  -14.7290
            32  C1a C    29.9886  -14.0782
            33  C1a C    27.5709  -14.0316
            34  C1a C    24.4558  -14.5889
            35  O1a O    23.2005  -14.5889
            36  O1a O    21.4801  -20.3084
            37  O5x O    23.8978  -20.3084
            38  O1a O    26.3156  -20.3084
            39  O5x O    28.7333  -20.3549
            40  O5a O    31.1510  -20.3549
            41  O1a O    31.1975  -16.1704
            42  O1a O    27.5244  -19.6109
            43  O0  O    42.2100  -19.8100
            44  N2b N    41.5480  -15.8906 #+
            45  O1b O    40.3327  -16.5796
            46  O3a O    41.6121  -14.4811
            47  O3a O    42.7505  -16.5854 #-
            48  C8x C    20.2713  -16.7748
            49  C8x C    21.4801  -16.0774
            50  C8y C    22.6890  -16.7748
            51  C8y C    22.6890  -18.2161
            52  C5x C    23.8978  -18.9135
            53  C2y C    25.1067  -18.2161
            54  C1y C    25.1067  -16.8213
            55  C1x C    26.3620  -16.1239
            56  C1y C    27.5244  -16.8213
            57  C1z C    27.5244  -18.2161
            58  C2y C    26.3156  -18.9135
            59  O1a O    26.3156  -20.3084
            60  C5x C    28.7333  -18.9135
            61  O5x O    28.7333  -20.3549
            62  C2y C    29.9421  -18.2626
            63  C2y C    29.9421  -16.8678
            64  O1a O    31.1975  -16.1704
            65  C1y C    28.7797  -16.1239
            66  N1c N    28.7797  -14.7290
            67  C1a C    29.9886  -14.0782
            68  C1a C    27.5709  -14.0316
            69  C5a C    31.1510  -18.9601
            70  O5a O    31.1510  -20.3549
            71  N1b N    32.3599  -18.2626
            72  C1b C    33.5687  -18.9601
            73  N1y N    34.7775  -18.2626
            74  C1x C    36.1241  -18.7012
            75  C1x C    36.9572  -17.5980
            76  C1x C    36.1486  -16.4113
            77  C1x C    34.7891  -16.8621
            78  O1a O    27.5244  -19.6109
            79  C1z C    23.8978  -16.0774
            80  C1a C    24.4558  -14.5889
            81  O1a O    23.2005  -14.5889
            82  O5x O    23.8978  -20.3084
            83  C8y C    21.4801  -18.9135
            84  C8x C    20.2713  -18.2161
            85  O1a O    21.4801  -20.3084
            86  O0  O    42.2100  -19.8100
            87  O0  O    42.2100  -19.8100
BOND        90
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4    44  45 1
            5    44  46 2
            6    44  47 1
            7     9   8 2
            8    25  26 1
            9     8   5 1
            10   13  14 1
            11   14  15 2
            12   26  27 1
            13   27  28 1
            14   28  29 1
            15   29  30 1
            16   30  26 1
            17   15  18 1
            18   22  31 1 #Down
            19   17  16 1
            20   31  32 1
            21   16  13 1
            22   31  33 1
            23    5   6 2
            24    6   7 1
            25   12  34 1 #Down
            26    9  10 1
            27   12  35 1 #Up
            28   10  11 1
            29    7  36 1
            30   11  14 1
            31   11  37 2
            32   17  18 1
            33   15  38 1
            34   18  19 1
            35   19  39 2
            36   19  20 1
            37   23  40 2
            38   20  21 2
            39   21  41 1
            40   21  22 1
            41   18  42 1 #Down
            42   22  17 1
            43   13  12 1
            44   20  23 1
            45   12   9 1
            46   23  24 1
            47    7  10 2
            48   24  25 1
            49   50  49 2
            50   72  73 1
            51   49  48 1
            52   54  53 1
            53   53  58 2
            54   73  74 1
            55   74  75 1
            56   75  76 1
            57   76  77 1
            58   77  73 1
            59   58  57 1
            60   65  66 1 #Down
            61   56  55 1
            62   66  67 1
            63   55  54 1
            64   66  68 1
            65   48  84 2
            66   84  83 1
            67   79  80 1 #Down
            68   50  51 1
            69   79  81 1 #Up
            70   51  52 1
            71   83  85 1
            72   52  53 1
            73   52  82 2
            74   56  57 1
            75   58  59 1
            76   57  60 1
            77   60  61 2
            78   60  62 1
            79   69  70 2
            80   62  63 2
            81   63  64 1
            82   63  65 1
            83   57  78 1 #Down
            84   65  56 1
            85   54  79 1
            86   62  69 1
            87   79  50 1
            88   69  71 1
            89   83  51 2
            90   71  72 1
BRACKET     1    38.6400  -17.2900   38.6400  -13.6500
            1    43.8900  -13.6500   43.8900  -17.2900
            1  2
 ORIGINAL  1    1   2   3   4
 REPEAT    1   46  47  48  49
            2    19.9500  -21.1400   19.9500  -13.2300
            2    37.3800  -13.2300   37.3800  -21.1400
            2  2
 ORIGINAL  2    5   8   9  10  11  14  13  16  17  34  18  15  40  19  41  20
            2   21  43  22  31  32  33  23  42  24  25  26  27  28  29  30  44
            2   35  12  36  37  39   7   6  38
 REPEAT    2   50  51  52  53  54  55  56  57  58  59  60  61  62  63  64  65
            2   66  67  68  69  70  71  72  73  74  75  76  77  78  79  80  81
            2   82  83  84  85  86  87  88  89
            3    39.6900  -20.7900   39.6900  -18.7600
            3    42.9800  -18.7600   42.9800  -20.7900
            3  3
 ORIGINAL  3   45
 REPEAT    3   90  91

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