| Entry |
|
|---|
| Name |
Demecycline (USAN/INN) |
|---|
| Formula |
C21H22N2O8
|
|---|
| Exact mass |
430.1376
|
|---|
| Mol weight |
430.408
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antibacterial
DG01197 Tetracycline antibiotic
|
|---|
| Efficacy |
Antibacterial |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antibacterial
DG01197 Tetracycline antibiotic
D03681 Demecycline
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Tetracycline
D03681 Demecycline (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C1y C 23.0119 -16.6823
2 C1z C 23.0003 -18.0642
3 C1y C 24.2130 -15.9943
4 C1x C 21.8050 -15.9827
5 C2y C 21.8050 -18.7639
6 C5x C 24.1955 -18.7639
7 O1a O 23.0003 -19.4576
8 C2y C 25.4082 -16.6940
9 N1c N 24.2189 -14.5950
10 C1y C 20.5981 -16.6823
11 C2y C 20.5981 -18.0759
12 O1a O 21.8109 -20.1690
13 C2y C 25.4024 -18.0817
14 O5x O 24.1898 -20.1631
15 O1a O 26.6210 -16.0003
16 C1a C 25.4375 -13.9013
17 C1a C 23.0119 -13.8896
18 C1y C 19.3855 -15.9827
19 C5x C 19.3972 -18.7813
20 C5a C 26.6035 -18.7813
21 C8y C 18.1786 -16.6940
22 O1a O 19.3855 -14.5134
23 C8y C 18.1844 -18.0876
24 O5x O 19.4090 -20.1806
25 N1a N 27.8220 -18.0933
26 O5a O 26.5977 -20.1863
27 C8x C 16.9658 -15.9943
28 C8y C 16.9833 -18.7930
29 C8x C 15.7530 -16.7057
30 C8x C 15.7647 -18.1049
31 O1a O 16.9950 -20.1980
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 1
13 6 14 2
14 8 15 1
15 9 16 1
16 9 17 1
17 10 18 1
18 11 19 1
19 13 20 1
20 18 21 1
21 18 22 1 #Up
22 19 23 1
23 19 24 2
24 20 25 1
25 20 26 2
26 21 27 1
27 23 28 1
28 27 29 2
29 28 30 2
30 28 31 1
31 8 13 2
32 10 11 1
33 21 23 2
34 29 30 1
|
|---|
