KEGG   DRUG: D03904Help
Entry
D03904                      Drug                                   

Name
Doxycycline fosfatex (USAN)
Formula
(C22H24N2O8)3. P4H3O12. Na
Exact mass
1674.3071
Mol weight
1675.2051
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
ATC code: 
Drug group: 
Comment
Semisynthetic tetracycline
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
     J01AA02 Doxycycline
      D03904  Doxycycline fosfatex (USAN)
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Doxycycline
    D03904  Doxycycline fosfatex (USAN)
 Dental and Oral Agents
  Doxycycline
   D03904  Doxycycline fosfatex (USAN)
 Dermatological Agents
  Doxycycline
   D03904  Doxycycline fosfatex (USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   16S rRNA of 30S ribosomal subunit inhibitor
    Tetracyclines
     Doxycycline
      D03904  Doxycycline fosfatex (USAN)
BRITE hierarchy
Other DBs
CAS: 
83038-87-3
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        113
            1   P1b P    22.1020   -5.1950
            2   O2x O    23.5031   -5.1950
            3   P1b P    24.4958   -6.1805
            4   O2x O    24.4958   -7.5816
            5   P1b P    23.5031   -8.5743
            6   O2x O    22.1020   -8.5743
            7   P1b P    21.1163   -7.5816
            8   O2x O    21.1163   -6.1805
            9   O1c O    20.7020   -5.1950
            10  O1c O    24.4958   -4.7805
            11  O1c O    25.8998   -6.1806
            12  O1c O    22.1020   -3.7950
            13  O1c O    23.5031   -9.9743 #-
            14  O1c O    24.9031   -8.5743
            15  O1c O    21.1163   -8.9816
            16  O1c O    19.7163   -7.5816
            17  C1y C     9.7319   -7.2905
            18  C1z C     9.7601   -8.6392
            19  C1y C    10.9143   -6.6305
            20  C1y C     8.5725   -6.6018
            21  C2y C     8.4739   -9.3050
            22  C5x C    10.8742   -9.3336
            23  C2y C    12.0678   -7.3249
            24  C1y C     7.3202   -7.2676
            25  C2y C     7.3788   -8.6219
            26  O1a O     8.4682  -10.6652
            27  C2y C    12.0563   -8.6737
            28  O5x O    10.8265  -10.6939
            29  O1a O    13.2618   -6.6650
            30  C1y C     6.2195   -6.5845
            31  C5x C     6.2080   -9.2992
            32  C5a C    13.2215   -9.3739
            33  C8y C     5.0485   -7.2562
            34  C8y C     5.0428   -8.6162
            35  O5x O     6.2080  -10.6536
            36  N1a N    14.4096   -8.7081
            37  O5a O    13.2497  -10.7340
            38  C8x C     3.8603   -6.5788
            39  C8y C     3.8662   -9.2935
            40  C8x C     2.6895   -7.2618
            41  C8x C     2.6895   -8.6219
            42  O1a O     3.8662  -10.6536
            43  C1a C     6.2247   -4.8715
            44  N1c N    10.9367   -4.4417
            45  C1a C    12.1369   -3.7748
            46  C1a C     9.7589   -3.7358
            47  O1a O     8.5624   -4.8852
            48  O1a O     9.7067  -10.0102
            49  Z   Na   26.6000  -10.1500 #+
            50  C1y C     9.7319   -7.2905
            51  C1z C     9.7601   -8.6392
            52  C2y C     8.4739   -9.3050
            53  C2y C     7.3788   -8.6219
            54  C5x C     6.2080   -9.2992
            55  C8y C     5.0428   -8.6162
            56  C8y C     3.8662   -9.2935
            57  C8x C     2.6895   -8.6219
            58  C8x C     2.6895   -7.2618
            59  C8x C     3.8603   -6.5788
            60  C8y C     5.0485   -7.2562
            61  C1y C     6.2195   -6.5845
            62  C1y C     7.3202   -7.2676
            63  C1y C     8.5725   -6.6018
            64  O1a O     8.5624   -4.8852
            65  C1a C     6.2247   -4.8715
            66  O1a O     3.8662  -10.6536
            67  O5x O     6.2080  -10.6536
            68  O1a O     8.4682  -10.6652
            69  C5x C    10.8742   -9.3336
            70  C2y C    12.0563   -8.6737
            71  C5a C    13.2215   -9.3739
            72  N1a N    14.4096   -8.7081
            73  O5a O    13.2497  -10.7340
            74  C2y C    12.0678   -7.3249
            75  O1a O    13.2618   -6.6650
            76  C1y C    10.9143   -6.6305
            77  N1c N    10.9367   -4.4417
            78  C1a C    12.1369   -3.7748
            79  C1a C     9.7589   -3.7358
            80  O5x O    10.8265  -10.6939
            81  O1a O     9.7067  -10.0102
            82  C1y C     9.7319   -7.2905
            83  C1z C     9.7601   -8.6392
            84  C2y C     8.4739   -9.3050
            85  C2y C     7.3788   -8.6219
            86  C5x C     6.2080   -9.2992
            87  C8y C     5.0428   -8.6162
            88  C8y C     3.8662   -9.2935
            89  C8x C     2.6895   -8.6219
            90  C8x C     2.6895   -7.2618
            91  C8x C     3.8603   -6.5788
            92  C8y C     5.0485   -7.2562
            93  C1y C     6.2195   -6.5845
            94  C1y C     7.3202   -7.2676
            95  C1y C     8.5725   -6.6018
            96  O1a O     8.5624   -4.8852
            97  C1a C     6.2247   -4.8715
            98  O1a O     3.8662  -10.6536
            99  O5x O     6.2080  -10.6536
            100 O1a O     8.4682  -10.6652
            101 C5x C    10.8742   -9.3336
            102 C2y C    12.0563   -8.6737
            103 C5a C    13.2215   -9.3739
            104 N1a N    14.4096   -8.7081
            105 O5a O    13.2497  -10.7340
            106 C2y C    12.0678   -7.3249
            107 O1a O    13.2618   -6.6650
            108 C1y C    10.9143   -6.6305
            109 N1c N    10.9367   -4.4417
            110 C1a C    12.1369   -3.7748
            111 C1a C     9.7589   -3.7358
            112 O5x O    10.8265  -10.6939
            113 O1a O     9.7067  -10.0102
BOND        121
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   1 1
            9     1   9 2
            10    3  10 2
            11    3  11 1
            12    1  12 1
            13    5  13 1
            14    5  14 2
            15    7  15 2
            16    7  16 1
            17   21  25 2
            18   21  26 1
            19   22  27 1
            20   22  28 2
            21   23  29 1
            22   24  30 1
            23   25  31 1
            24   27  32 1
            25   30  33 1
            26   31  34 1
            27   31  35 2
            28   32  36 1
            29   32  37 2
            30   33  38 1
            31   34  39 1
            32   38  40 2
            33   39  41 2
            34   39  42 1
            35   23  27 2
            36   24  25 1
            37   33  34 2
            38   40  41 1
            39   30  43 1 #Down
            40   19  44 1 #Down
            41   17  18 1
            42   44  45 1
            43   17  19 1
            44   44  46 1
            45   17  20 1
            46   18  21 1
            47   18  22 1
            48   20  47 1 #Down
            49   19  23 1
            50   18  48 1 #Down
            51   20  24 1
            52   52  53 2
            53   52  68 1
            54   69  70 1
            55   69  80 2
            56   74  75 1
            57   62  61 1
            58   53  54 1
            59   70  71 1
            60   61  60 1
            61   54  55 1
            62   54  67 2
            63   71  72 1
            64   71  73 2
            65   60  59 1
            66   55  56 1
            67   59  58 2
            68   56  57 2
            69   56  66 1
            70   74  70 2
            71   62  53 1
            72   60  55 2
            73   58  57 1
            74   61  65 1 #Down
            75   76  77 1 #Down
            76   50  51 1
            77   77  78 1
            78   50  76 1
            79   77  79 1
            80   50  63 1
            81   51  52 1
            82   51  69 1
            83   63  64 1 #Down
            84   76  74 1
            85   51  81 1 #Down
            86   63  62 1
            87   84  85 2
            88   84 100 1
            89  101 102 1
            90  101 112 2
            91  106 107 1
            92   94  93 1
            93   85  86 1
            94  102 103 1
            95   93  92 1
            96   86  87 1
            97   86  99 2
            98  103 104 1
            99  103 105 2
            100  92  91 1
            101  87  88 1
            102  91  90 2
            103  88  89 2
            104  88  98 1
            105 106 102 2
            106  94  85 1
            107  92  87 2
            108  90  89 1
            109  93  97 1 #Down
            110 108 109 1 #Down
            111  82  83 1
            112 109 110 1
            113  82 108 1
            114 109 111 1
            115  82  95 1
            116  83  84 1
            117  83 101 1
            118  95  96 1 #Down
            119 108 106 1
            120  83 113 1 #Down
            121  95  94 1
BRACKET     1     2.1000  -11.8300    2.1000   -2.3800
            1    16.7300   -2.3800   16.7300  -11.8300
            1  3
 ORIGINAL  1   17  18  21  25  31  34  39  41  40  38  33  30  24  48  20  49
            1   43  42  35  26  22  27  32  36  37  23  29  19  44  45  46  28
            1   50  47
 REPEAT    1   52  53  54  55  56  57  58  59  60  61  62  63  64  65  66  67
            1   68  69  70  71  72  73  74  75  76  77  78  79  80  81  82  83
            1   84  85  86  87  88  89  90  91  92  93  94  95  96  97  98  99
            1  100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115
            1  116 117 118 119

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