Entry |
|
Name |
Valnemulin (INN) |
Formula |
C31H52N2O5S
|
Exact mass |
564.3597
|
Mol weight |
564.82
|
Structure |
|
Simcomp |
|
Class |
Antibacterial
DG01813 Pleuromutilin
|
Remark |
|
Efficacy |
Antibiotic (veterinary), Protein biosynthesis inhibitor |
Comment |
Veterinary medicine
Pleuromutilin [CPD: C09169] derivative
|
Target |
50S ribosomal subunit |
Pathway |
|
Brite |
Drug groups [BR:br08330]
Antibacterial
DG01813 Pleuromutilin
DG01438 Valnemulin
D08665 Valnemulin
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Pleuromutilin
D08665 Valnemulin (INN)
Drug groups [BR:br08330]
Antibacterial
DG01813 Pleuromutilin
DG01438 Valnemulin
|
Other DBs |
|
KCF data |
ATOM 39
1 C1z C 31.9200 -18.6200
2 C1y C 30.9400 -19.6000
3 C1y C 31.9200 -17.2200
4 C1x C 33.1800 -19.2500
5 C1x C 31.9200 -20.0200
6 C1z C 29.5400 -19.6000
7 C5x C 31.5700 -20.8600
8 C1y C 30.9400 -16.2400
9 C1a C 33.1800 -16.6600
10 C1x C 32.9700 -20.6500
11 C1x C 30.5900 -20.0200
12 C1y C 28.5600 -18.6200
13 C1y C 29.5400 -21.0000
14 C1a C 28.7000 -20.7900
15 O5x O 30.9400 -22.1200
16 C1z C 29.5400 -16.2400
17 O1a O 31.4300 -14.9100
18 C1x C 28.5600 -17.2200
19 O7a O 27.2300 -19.1800
20 C1a C 29.1200 -22.3300
21 C2b C 29.8900 -14.8400
22 C1a C 28.9800 -14.9100
23 C7a C 26.0400 -18.4800
24 C2a C 29.5400 -13.5100
25 C1b C 24.7800 -19.1800
26 O6a O 26.0400 -17.0800
27 S2a S 23.5900 -18.4800
28 C1d C 22.4000 -19.1100
29 C1b C 21.2100 -18.4100
30 N1b N 19.9500 -19.1100
31 C5a C 18.7600 -18.4100
32 C1c C 17.5700 -19.1100
33 C1c C 16.3800 -18.4100
34 C1a C 15.1900 -19.1100
35 C1a C 21.7000 -20.3700
36 C1a C 23.1000 -20.3700
37 O5a O 18.7600 -17.0800
38 N1a N 17.5700 -20.5100
39 C1a C 16.3800 -17.0800
BOND 41
1 6 13 1 #Up
2 6 14 1 #Down
3 7 15 2
4 8 16 1
5 8 17 1 #Up
6 12 18 1
7 12 19 1 #Down
8 13 20 1
9 16 21 1 #Up
10 16 22 1 #Down
11 19 23 1
12 21 24 2
13 23 25 1
14 23 26 2
15 25 27 1
16 7 10 1
17 11 13 1
18 16 18 1
19 27 28 1
20 1 2 1
21 28 29 1
22 1 3 1
23 29 30 1
24 1 4 1
25 30 31 1
26 1 5 1 #Up
27 31 32 1
28 2 6 1
29 32 33 1
30 2 7 1
31 33 34 1
32 3 8 1
33 28 35 1
34 3 9 1 #Down
35 28 36 1
36 4 10 1
37 31 37 2
38 5 11 1
39 32 38 1
40 6 12 1
41 33 39 1
|