Ritipenem acoxil hydrate


Entry
D09849                      Drug                                   
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
Same as: C14295
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
PubChem: 124490588
LigandBox: D09849
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