KEGG   DRUG: Sultamicillin
Entry
D05972                      Drug                                   
Name
Sultamicillin (USAN/INN)
Formula
C25H30N4O9S2
Exact mass
594.1454
Mol weight
594.6571
Structure
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penicillin
 DG01479  beta-Lactamase inhibitor
Remark
ATC code: J01CR04
Chemical structure group: DG00547
Product (DG00547): D01668<JP>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor, beta-Lactamase inhibitor
Target
penicillin binding protein
beta-lactamases
  Pathway
ko00550  Peptidoglycan biosynthesis
ko00312  beta-Lactam resistance
Interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CR Combinations of penicillins, incl. beta-lactamase inhibitors
     J01CR04 Sultamicillin
      D05972  Sultamicillin (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00547  Sultamicillin
      D05972  Sultamicillin
  DG01479  beta-Lactamase inhibitor
   DG00547  Sultamicillin
    D05972  Sultamicillin
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    D05972  Sultamicillin (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00547  Sultamicillin
  DG01479  beta-Lactamase inhibitor
   DG00547  Sultamicillin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    DG00547  Sultamicillin
Other DBs
CAS: 76497-13-7
PubChem: 47207630
LigandBox: D05972
NIKKAJI: J34.488E
LinkDB
KCF data

ATOM        40
            1   C1x C    39.3335  -16.1425
            2   C5x C    39.3335  -17.5838
            3   N1y N    37.9609  -17.5838
            4   C1y C    37.9609  -16.1425
            5   C1y C    36.6569  -17.9956
            6   C1z C    35.8333  -16.8288
            7   S2x S    36.6569  -15.7307
            8   C1a C    34.8724  -17.8583
            9   C7a C    36.1764  -19.2996
            10  O7a O    34.8038  -19.2996
            11  O6a O    37.0000  -20.3977
            12  O3c O    37.0000  -14.4266
            13  O3c O    35.6960  -14.7698
            14  C1a C    34.7809  -15.9474
            15  C1y C    26.9796  -16.1425
            16  C5x C    26.9796  -17.5151
            17  N1y N    28.3522  -17.5151
            18  C1y C    28.3522  -16.1425
            19  C1y C    29.6563  -17.9269
            20  C1z C    30.4799  -16.8288
            21  S2x S    29.6563  -15.7307
            22  C1a C    31.4407  -17.7897
            23  C1a C    31.4407  -15.8679
            24  C7a C    30.1367  -19.2996
            25  O7a O    31.5094  -19.2996
            26  O6a O    29.3131  -20.3977
            27  N1b N    25.8128  -15.4561
            28  C5a C    24.6460  -16.1425
            29  O5x O    25.8128  -18.2701
            30  O5a O    24.6460  -17.5151
            31  C1c C    23.4107  -15.4561
            32  C8y C    22.2439  -16.1425
            33  N1a N    23.4107  -14.0835
            34  C8x C    21.0771  -15.4561
            35  C8x C    19.8417  -16.1425
            36  C8x C    19.8417  -17.5151
            37  C8x C    21.0771  -18.2015
            38  C8x C    22.2439  -17.5151
            39  C1b C    33.0879  -20.4883
            40  O5x O    40.5460  -18.2838
BOND        44
            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    5   9 1 #Up
            11    9  10 1
            12    9  11 2
            13    7  12 2
            14    7  13 2
            15    6  14 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   15  18 1
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   18  21 1
            24   20  22 1
            25   20  23 1
            26   19  24 1 #Down
            27   24  25 1
            28   24  26 2
            29   15  27 1 #Up
            30   27  28 1
            31   16  29 2
            32   28  30 2
            33   28  31 1
            34   31  32 1
            35   31  33 1 #Up
            36   32  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   32  38 1
            42   25  39 1
            43   10  39 1
            44    2  40 2

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KEGG   DRUG: Sultamicillin tosilate hydrate
Entry
D01668                      Drug                                   
Name
Sultamicillin tosilate hydrate (JP18);
Sultamicillin tosylate dihydrate;
Unasyn (TN)
Formula
C25H30N4O9S2. C7H8O3S. 2H2O
Exact mass
802.186
Mol weight
802.8893
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penicillin
 DG01479  beta-Lactamase inhibitor
Remark
Therapeutic category: 6131
ATC code: J01CR04
Chemical structure group: DG00547
Product (DG00547): D01668<JP>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor, beta-Lactamase inhibitor
Target
penicillin binding protein
beta-lactamases
  Pathway
ko00550  Peptidoglycan biosynthesis
ko00312  beta-Lactam resistance
Interaction
Structure map
map07011  Penicillins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CR Combinations of penicillins, incl. beta-lactamase inhibitors
     J01CR04 Sultamicillin
      D01668  Sultamicillin tosilate hydrate (JP18) <JP>
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
     D01668  Sultamicillin tosilate hydrate (JP18)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00547  Sultamicillin
      D01668  Sultamicillin tosilate hydrate
  DG01479  beta-Lactamase inhibitor
   DG00547  Sultamicillin
    D01668  Sultamicillin tosilate hydrate
Drug classes [BR:br08332]
 Antibacterial
  DG01480  Penicillin
   D01668  Sultamicillin tosilate hydrate
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    D01668  Sultamicillin tosilate hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01668  Sultamicillin tosilate hydrate
  D01668  Sultamicillin tosilate tablets
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00547  Sultamicillin
  DG01479  beta-Lactamase inhibitor
   DG00547  Sultamicillin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    DG00547  Sultamicillin
Other DBs
PubChem: 7848731
LigandBox: D01668
LinkDB
KCF data

ATOM        53
            1   C8y C    37.7829  -15.0897
            2   C8x C    36.6161  -15.7761
            3   C8x C    39.0183  -15.7761
            4   S4a S    37.7829  -13.7171
            5   C8x C    36.6161  -17.1487
            6   C8x C    39.0183  -17.1487
            7   O1d O    36.4102  -13.7171
            8   O1d O    39.1556  -13.7171
            9   O1d O    37.7829  -12.4130
            10  C8y C    37.7829  -17.8351
            11  C1a C    37.7829  -19.2077
            12  O0  O    35.3203  -18.8646
            13  C1x C    34.1535  -14.9525
            14  C5x C    34.1535  -16.3938
            15  N1y N    32.7809  -16.3938
            16  C1y C    32.7809  -14.9525
            17  C1y C    31.4769  -16.8056
            18  C1z C    30.6533  -15.6388
            19  S2x S    31.4769  -14.5407
            20  C1a C    29.6924  -16.6683
            21  C7a C    30.9964  -18.1096
            22  O7a O    29.6238  -18.1096
            23  O6a O    31.8200  -19.2077
            24  O1d O    31.8200  -13.2366
            25  O1d O    30.5160  -13.5798
            26  C1a C    29.6009  -14.7574
            27  C1y C    21.7996  -14.9525
            28  C5x C    21.7996  -16.3251
            29  N1y N    23.1722  -16.3251
            30  C1y C    23.1722  -14.9525
            31  C1y C    24.4763  -16.7369
            32  C1z C    25.2999  -15.6388
            33  S2x S    24.4763  -14.5407
            34  C1a C    26.2607  -16.5997
            35  C1a C    26.2607  -14.6779
            36  C7a C    24.9567  -18.1096
            37  O7a O    26.3294  -18.1096
            38  O6a O    24.1331  -19.2077
            39  N1b N    20.6328  -14.2661
            40  C5a C    19.4660  -14.9525
            41  O5x O    20.6328  -17.0801
            42  O5a O    19.4660  -16.3251
            43  C1c C    18.2307  -14.2661
            44  C8y C    17.0639  -14.9525
            45  N1a N    18.2307  -12.8935
            46  C8x C    15.8971  -14.2661
            47  C8x C    14.6617  -14.9525
            48  C8x C    14.6617  -16.3251
            49  C8x C    15.8971  -17.0115
            50  C8x C    17.0639  -16.3251
            51  C1b C    27.9079  -19.2983
            52  O5x O    35.3660  -17.0938
            53  O0  O    35.3203  -18.8646
BOND        55
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10   10  11 1
            11    6  10 2
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   13  16 1
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   16  19 1
            20   18  20 1
            21   17  21 1 #Up
            22   21  22 1
            23   21  23 2
            24   19  24 2
            25   19  25 2
            26   18  26 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   27  30 1
            31   29  31 1
            32   31  32 1
            33   32  33 1
            34   30  33 1
            35   32  34 1
            36   32  35 1
            37   31  36 1 #Down
            38   36  37 1
            39   36  38 2
            40   27  39 1 #Up
            41   39  40 1
            42   28  41 2
            43   40  42 2
            44   40  43 1
            45   43  44 1
            46   43  45 1 #Up
            47   44  46 2
            48   46  47 1
            49   47  48 2
            50   48  49 1
            51   49  50 2
            52   44  50 1
            53   37  51 1
            54   22  51 1
            55   14  52 2
BRACKET     1    33.4600  -19.6000   33.4600  -17.9900
            1    35.7000  -17.9900   35.7000  -19.6000
            1  2
 ORIGINAL  1   12
 REPEAT    1   55

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