KEGG   DRUG: D02504Help
Entry
D02504                      Drug                                   

Name
Aspoxicillin hydrate (JP16);
ASPC;
Doyle (TN)
Formula
C21H27N5O7S. 3H2O
Exact mass
547.1948
Mol weight
547.5792
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibiotic, penicillin, penicillinase-sensitive
Remark
Therapeutic category: 
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
      D02504  Aspoxicillin hydrate (JP16)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   613  Acting mainly on gram-positive and gram-negative bacteria
    6131  Penicillins
     D02504  Aspoxicillin hydrate (JP16)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Aspoxicillin
      D02504  Aspoxicillin hydrate (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02504  Aspoxicillin hydrate
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        37
            1   O0  O    28.7384  -17.9708
            2   C1y C    19.3311  -17.1925
            3   C5x C    19.3311  -18.5900
            4   N1y N    20.7286  -18.5900
            5   C1y C    20.7286  -17.1925
            6   C1y C    22.0563  -19.0092
            7   C1z C    22.8947  -17.8913
            8   S2x S    22.0563  -16.7733
            9   C1a C    23.8729  -18.8695
            10  C1a C    23.8729  -16.9130
            11  C6a C    22.5454  -20.4067
            12  O6a O    23.9427  -20.4067
            13  O6a O    21.7069  -21.5246
            14  N1b N    18.1433  -16.4938
            15  C5a C    16.9555  -17.1925
            16  O5x O    18.1433  -19.2887
            17  O5a O    16.9555  -18.5900
            18  C1c C    15.6978  -16.4938
            19  C8y C    15.6978  -15.0963
            20  C8x C    16.9555  -14.3976
            21  C8x C    16.9555  -13.0001
            22  C8y C    15.6978  -12.3014
            23  C8x C    14.5100  -13.0001
            24  C8x C    14.5100  -14.3976
            25  N1b N    14.5100  -17.1925
            26  C5a C    13.3222  -16.4938
            27  C1c C    12.0645  -17.1925
            28  O5a O    13.3222  -15.0963
            29  C1b C    10.8619  -16.4715
            30  O1a O    15.6806  -10.9200
            31  N1a N    12.0414  -18.6200
            32  C5a C     9.6383  -17.1513
            33  N1b N     8.4531  -16.4404
            34  C1a C     7.2382  -17.1153
            35  O5a O     9.6851  -18.5493
            36  O0  O    28.7384  -17.9708
            37  O0  O    28.7384  -17.9708
BOND        36
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     2   5 1
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     5   8 1
            9     7   9 1
            10    7  10 1
            11    6  11 1 #Down
            12   11  12 1
            13   11  13 2
            14    2  14 1 #Up
            15   14  15 1
            16    3  16 2
            17   15  17 2
            18   15  18 1
            19   18  19 1 #Down
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   25  26 1
            27   26  27 1
            28   18  25 1
            29   26  28 2
            30   27  29 1
            31   22  30 1
            32   27  31 1 #Down
            33   29  32 1
            34   32  33 1
            35   33  34 1
            36   32  35 2
BRACKET     1    26.5300  -18.9700   26.5300  -17.0800
            1    29.3300  -17.0800   29.3300  -18.9700
            1  3
 ORIGINAL  1    1
 REPEAT    1   37  38

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