| Entry |
|
|---|
| Name |
Tylvalosin (USAN/INN) |
|---|
| Formula |
C53H87NO19
|
|---|
| Exact mass |
1041.5872
|
|---|
| Mol weight |
1042.25
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antibacterial
DG01551 Macrolide antibiotic
DG01876 16-Membered ring macrolide antibiotic
|
|---|
| Remark |
|
|---|
| Efficacy |
Antibacterial (veterinary), Protein biosynthesis inhibitor |
|---|
| Target |
50S ribosomal subunit |
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01876 16-Membered ring macrolide antibiotic
DG02442 Tylvalosin
D10032 Tylvalosin
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
D10032 Tylvalosin (USAN/INN)
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01876 16-Membered ring macrolide antibiotic
DG02442 Tylvalosin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 73
1 C2x C 14.1699 -11.6135
2 C2x C 14.1699 -13.0035
3 C1x C 16.6023 -13.0035
4 C1y C 16.6023 -11.6135
5 C5x C 15.3514 -10.9185
6 C1y C 16.6023 -15.7834
7 C1y C 17.7838 -15.0884
8 C1y C 17.7838 -13.6985
9 C2y C 12.9884 -13.6985
10 C2x C 12.9884 -15.0884
11 C7x C 14.1699 -17.1734
12 C1x C 15.3514 -17.8684
13 C1y C 16.6023 -17.1734
14 C1y C 11.6680 -15.7834
15 C1y C 11.6680 -17.1734
16 O7x O 12.9884 -17.8684
17 O6a O 14.1699 -15.7834
18 O2a O 19.6603 -16.1309
19 C1b C 18.9653 -13.0035
20 C4a C 20.1468 -13.6985
21 O4a O 21.3282 -13.0035
22 C1a C 17.7838 -10.9185
23 O5x O 15.3514 -9.5286
24 C1a C 11.7375 -13.0035
25 C1b C 10.4865 -15.0884
26 O2a O 9.2355 -15.7834
27 C1y C 8.0540 -15.0189
28 O2x O 8.0540 -13.6290
29 C1y C 6.8726 -12.9340
30 C1y C 5.6216 -13.6290
31 C1y C 5.6216 -15.0189
32 C1y C 6.8726 -15.7139
33 C1b C 10.4865 -17.8684
34 C1a C 9.3050 -17.1734
35 C1a C 15.4209 -15.0884
36 C1a C 6.8726 -11.5440
37 O1a O 4.4401 -12.9340
38 O2a O 4.4401 -15.7139
39 C1a C 3.2587 -15.0189
40 O2a O 6.8726 -17.1039
41 C1a C 5.6911 -17.7989
42 C1y C 20.8417 -16.8259
43 C1y C 20.8417 -18.2159
44 C1y C 22.0232 -18.9803
45 C1y C 23.2742 -18.2159
46 C1y C 23.2742 -16.8259
47 O2x O 22.0232 -16.1309
48 O1a O 19.6603 -18.9803
49 O2a O 24.4557 -18.9803
50 C1a C 24.4557 -16.1309
51 N1c N 22.0232 -20.3703
52 C1a C 20.8417 -21.0653
53 C1a C 23.2047 -21.0653
54 C1y C 25.7066 -19.6753
55 C1x C 25.7066 -21.0653
56 C1z C 26.8881 -21.7603
57 C1y C 28.0696 -21.0653
58 C1y C 28.0696 -19.6753
59 O2x O 26.8881 -18.9803
60 C1a C 29.2510 -18.9803
61 C1a C 27.8611 -22.7332
62 O1a O 26.0541 -22.8722
63 O7a O 29.2510 -21.7603
64 C7a C 30.4604 -21.0751
65 C1b C 31.6333 -21.7652
66 O6a O 30.4725 -19.6759
67 C1c C 32.8301 -21.0871
68 C1a C 33.9929 -21.7711
69 C1a C 32.7725 -19.6761
70 O7a O 17.8003 -17.8783
71 C7a C 17.8003 -19.2683
72 C1a C 16.5886 -19.9679
73 O6a O 18.9874 -19.9535
BOND 76
1 1 2 2
2 3 4 1
3 4 5 1
4 1 5 1
5 6 7 1
6 7 8 1
7 3 8 1
8 2 9 1
9 9 10 2
10 11 12 1
11 12 13 1
12 13 6 1
13 10 14 1
14 14 15 1
15 15 16 1
16 11 16 1
17 11 17 2
18 7 18 1 #Down
19 8 19 1 #Down
20 19 20 1
21 20 21 2
22 4 22 1 #Down
23 5 23 2
24 9 24 1
25 14 25 1 #Up
26 25 26 1
27 27 26 1 #Up
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 27 32 1
34 15 33 1 #Down
35 33 34 1
36 6 35 1 #Down
37 29 36 1 #Up
38 30 37 1 #Down
39 31 38 1 #Down
40 38 39 1
41 32 40 1 #Down
42 40 41 1
43 42 43 1
44 43 44 1
45 44 45 1
46 45 46 1
47 46 47 1
48 42 47 1
49 43 48 1 #Up
50 45 49 1 #Up
51 46 50 1 #Down
52 42 18 1 #Down
53 44 51 1 #Down
54 51 52 1
55 51 53 1
56 54 49 1 #Down
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 54 59 1
63 58 60 1 #Up
64 56 61 1 #Up
65 56 62 1 #Down
66 57 63 1 #Down
67 63 64 1
68 64 65 1
69 64 66 2
70 65 67 1
71 67 68 1
72 67 69 1
73 13 70 1 #Down
74 70 71 1
75 71 72 1
76 71 73 2
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|---|
