| Entry |
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| Name |
Doxycycline fosfatex (USAN)
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| Formula |
(C22H24N2O8)3. P4H3O12. Na
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| Exact mass |
1674.3071
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| Mol weight |
1675.2051
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| Structure |
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| Class |
Antibacterial
DG01197 Tetracycline antibiotic
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| Remark |
| Product (DG00008): | D00307<US> D02129<JP/US> |
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| Efficacy |
Antibacterial, Protein biosynthesis inhibitor |
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| Target |
30S ribosomal subunit |
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| Pathway |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A01 STOMATOLOGICAL PREPARATIONS
A01A STOMATOLOGICAL PREPARATIONS
A01AB Antiinfectives and antiseptics for local oral treatment
A01AB22 Doxycycline
D03904 Doxycycline fosfatex (USAN)
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01A TETRACYCLINES
J01AA Tetracyclines
J01AA02 Doxycycline
D03904 Doxycycline fosfatex (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
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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