KEGG   DRUG: D07469Help
Entry
D07469                      Drug                                   

Name
Aspoxicillin (JAN/INN);
ASPC;
Doyle (TN)
Formula
C21H27N5O7S
Exact mass
493.1631
Mol weight
493.5334
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibiotic, penicillin, penicillinase-sensitive
Remark
Same as: 
ATC code: 
Drug group: 
Comment
Semisynthetic penicillin: extended spectrum penicillin
Target
penicillin binding proteins inhibitor
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Interaction
Drug interaction
Structure map
Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA19 Aspoxicillin
      D07469  Aspoxicillin (JAN/INN)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Aspoxicillin
      D07469  Aspoxicillin (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
63358-49-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1y C    22.3758  -17.2046
            2   C5x C    22.3758  -18.6035
            3   N1y N    23.7747  -18.6035
            4   C1y C    23.7747  -17.2046
            5   C1y C    25.1037  -19.0232
            6   C1z C    25.9430  -17.9041
            7   S2x S    25.1037  -16.7850
            8   C1a C    26.9222  -18.8833
            9   C1a C    26.9222  -16.9249
            10  C6a C    25.5933  -20.4221
            11  O6a O    26.9922  -20.4221
            12  O6a O    24.7539  -21.4713
            13  N1b N    21.1868  -16.5052
            14  C5a C    19.9977  -17.2046
            15  O5x O    21.1868  -19.3030
            16  O5a O    19.9977  -18.6035
            17  C1c C    18.7387  -16.5052
            18  C8y C    18.7387  -15.1063
            19  C8x C    19.9977  -14.4069
            20  C8x C    19.9977  -13.0080
            21  C8y C    18.7387  -12.3085
            22  C8x C    17.5496  -13.0080
            23  C8x C    17.5496  -14.4069
            24  N1b N    17.5496  -17.2046
            25  C5a C    16.3606  -16.5052
            26  C1c C    15.1016  -17.2046
            27  O5a O    16.3606  -15.1063
            28  C1b C    13.9125  -16.4353
            29  O1a O    18.7387  -10.9096
            30  N1a N    15.1016  -18.6035
            31  C5a C    12.7234  -17.1347
            32  N1b N    11.5344  -16.4353
            33  C1a C    10.2754  -17.1347
            34  O5a O    12.7235  -18.5336
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 1 #Down
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   24  25 1
            27   25  26 1
            28   17  24 1
            29   25  27 2
            30   26  28 1
            31   21  29 1
            32   26  30 1 #Down
            33   28  31 1
            34   31  32 1
            35   32  33 1
            36   31  34 2

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