Entry |
|
Name |
Ritipenem acoxil hydrate (JAN) |
Formula |
C13H16N2O8S. H2O
|
Exact mass |
378.0733
|
Mol weight |
378.355
|
Structure |
|
Simcomp |
|
Class |
Antibacterial
DG01710 beta-Lactam antibiotic
DG01713 Penicillin skeleton group
DG01458 Carbapenem
|
Remark |
|
Efficacy |
Antibacterial, Cell wall biosynthesis inhibitor |
Comment |
beta-Lactam, carbapenem
|
Target |
penicillin binding protein |
Pathway |
ko00550 | Peptidoglycan biosynthesis |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antibacterial
DG01710 beta-Lactam antibiotic
DG01713 Penicillin skeleton group
DG01458 Carbapenem
D09849 Ritipenem acoxil hydrate
Antimicrobials [BR:br08307]
Antibacterials
Cell wall biosynthesis inhibitor, beta-lactam
Carbapenem
D09849 Ritipenem acoxil hydrate (JAN)
Antimicrobials abbreviations [BR:br08327]
Antibacterials
Cell wall biosynthesis inhibitor, beta-lactam
Carbapenem
D09849 Ritipenem acoxil hydrate (JAN)
|
Other DBs |
|
KCF data |
ATOM 25
1 C1y C 22.4700 -28.0000
2 C5x C 22.4700 -29.4000
3 C1y C 23.8700 -28.0000
4 N1y N 23.8700 -29.4000
5 C2y C 25.2000 -29.8200
6 C2y C 26.0400 -28.7000
7 S2x S 25.2000 -27.5800
8 C1c C 21.2800 -27.3000
9 C1a C 20.0200 -28.0000
10 C7a C 25.6200 -31.1500
11 O7a O 26.9500 -31.4300
12 O6a O 24.5700 -32.2000
13 O5x O 21.4900 -30.3800
14 O1a O 21.2800 -25.9000
15 C1b C 28.2100 -30.7300
16 O7a O 29.4000 -31.4300
17 C7a C 30.6600 -30.7300
18 C1a C 31.8500 -31.4300
19 O6a O 30.6600 -29.3300
20 C1b C 27.4400 -28.7000
21 O7a O 27.7900 -27.3700
22 C7a C 29.1200 -26.9500
23 N1a N 29.4700 -25.6200
24 O6a O 30.1000 -27.9300
25 O0 O 35.4200 -29.0500
BOND 25
1 8 9 1
2 1 2 1
3 5 10 1
4 2 4 1
5 10 11 1
6 3 1 1
7 10 12 2
8 3 4 1
9 2 13 2
10 4 5 1
11 8 14 1 #Up
12 5 6 2
13 6 7 1
14 7 3 1
15 1 8 1
16 11 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 17 19 2
21 6 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 22 24 2
|