| Entry |
|
|---|
| Name |
Penimepicycline (INN) |
|---|
| Formula |
C29H38N4O9. C16H18N2O5S
|
|---|
| Exact mass |
936.3575
|
|---|
| Mol weight |
937.0229
|
|---|
| Structure |
|
|---|
| Component |
Pipacycline, Penicillin V [DR: D05411]
|
|---|
| Remark |
|
|---|
| Efficacy |
Antibacterial, Protein biosynthesis inhibitor |
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01A TETRACYCLINES
J01AA Tetracyclines
J01AA10 Penimepicycline
D07233 Penimepicycline (INN)
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Tetracycline
D07233 Penimepicycline (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 66
1 C8x C 8.9090 -18.1079
2 C8x C 8.9090 -19.5106
3 C8y C 10.1715 -20.2120
4 C8y C 11.3639 -19.5106
5 C8y C 11.3639 -18.1079
6 C8x C 10.1715 -17.4065
7 C5x C 12.5562 -20.2120
8 C2y C 13.8187 -19.5106
9 C1y C 13.8187 -18.1079
10 C1z C 12.5562 -17.4065
11 C2y C 15.0110 -20.2120
12 C1z C 16.2034 -19.5106
13 C1y C 16.2034 -18.1079
14 C1x C 15.0110 -17.4065
15 C5x C 17.4659 -20.2120
16 C2y C 18.6582 -19.5106
17 C2y C 18.6582 -18.1079
18 C1y C 17.4659 -17.4065
19 O1a O 10.1715 -21.6148
20 O1a O 15.0110 -21.6148
21 O5x O 12.5562 -21.6148
22 O5x O 17.4659 -21.6148
23 C5a C 19.8506 -20.2120
24 N1b N 21.1131 -19.5106
25 O1a O 19.8506 -17.4065
26 O5a O 19.8506 -21.6148
27 C1b C 22.3054 -20.2120
28 N1y N 23.4977 -19.5808
29 C1x C 24.6901 -20.2120
30 C1x C 25.8824 -19.5106
31 N1y N 25.8824 -18.1079
32 C1x C 24.6901 -17.4065
33 C1x C 23.4977 -18.1079
34 C1b C 27.1449 -17.4065
35 C1b C 28.3373 -18.1079
36 O1a O 29.5296 -17.4065
37 N1c N 17.4659 -16.0037
38 C1a C 16.2034 -15.3024
39 C1a C 18.6582 -15.3024
40 O1a O 16.2034 -20.9134
41 C1a C 12.5562 -16.0037
42 O1a O 11.3639 -16.7051
43 C1y C 40.2607 -17.6871
44 C5x C 40.2607 -19.0898
45 N1y N 41.6635 -19.0898
46 C1y C 41.6635 -17.6871
47 C1y C 42.9961 -19.5106
48 C1z C 43.8378 -18.3884
49 S2x S 42.9961 -17.2662
50 C1a C 44.8197 -19.3704
51 C1a C 44.8197 -17.4065
52 C6a C 43.4871 -20.8433
53 O6a O 44.8898 -20.8433
54 O6a O 42.6454 -21.9655
55 N1b N 39.0684 -16.9857
56 C5a C 37.8760 -17.6871
57 O5x O 39.0684 -19.7912
58 O5a O 37.8760 -19.0898
59 C1b C 36.6837 -16.9857
60 O2a O 35.4913 -17.6871
61 C8y C 34.2289 -16.9857
62 C8x C 34.2289 -15.5829
63 C8x C 33.0365 -14.8815
64 C8x C 31.8442 -15.5829
65 C8x C 31.8442 -16.9857
66 C8x C 33.0365 -17.6871
BOND 72
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 12 15 1
18 15 16 1
19 16 17 2
20 17 18 1
21 13 18 1
22 3 19 1
23 11 20 1
24 7 21 2
25 15 22 2
26 16 23 1
27 23 24 1
28 17 25 1
29 23 26 2
30 24 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 28 33 1
38 31 34 1
39 34 35 1
40 35 36 1
41 18 37 1 #Down
42 37 38 1
43 37 39 1
44 12 40 1 #Down
45 10 41 1 #Down
46 10 42 1 #Up
47 43 44 1
48 44 45 1
49 45 46 1
50 43 46 1
51 45 47 1
52 47 48 1
53 48 49 1
54 46 49 1
55 48 50 1
56 48 51 1
57 47 52 1 #Down
58 52 53 1
59 52 54 2
60 43 55 1 #Up
61 55 56 1
62 44 57 2
63 56 58 2
64 56 59 1
65 59 60 1
66 60 61 1
67 61 62 2
68 62 63 1
69 63 64 2
70 64 65 1
71 65 66 2
72 61 66 1
|
|---|
