| Entry |
|
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| Name |
Rolitetracycline nitrate (JAN/USAN) |
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| Formula |
(C27H33N3O8)2. 2HNO3. 3H2O
|
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| Exact mass |
1234.4765
|
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| Mol weight |
1235.20
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antibacterial
DG01197 Tetracycline antibiotic
|
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| Remark |
|
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| Efficacy |
Antibacterial, Protein biosynthesis inhibitor |
|---|
| Target |
30S ribosomal subunit |
|---|
| Pathway |
|
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| Interaction |
|
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| 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)
Drug groups [BR:br08330]
Antibacterial
DG01197 Tetracycline antibiotic
DG00515 Rolitetracycline
D01486 Rolitetracycline nitrate
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Tetracycline
D01486 Rolitetracycline nitrate (JAN/USAN)
Drug groups [BR:br08330]
Antibacterial
DG01197 Tetracycline antibiotic
DG00515 Rolitetracycline
|
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| Other DBs |
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| LinkDB |
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| KCF data |
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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