KEGG   DRUG: Acetylsulfamethoxazole
Entry
D01601                      Drug                                   
Name
Acetylsulfamethoxazole (JAN)
Formula
C12H13N3O4S
Exact mass
295.0627
Mol weight
295.3143
Structure
Simcomp
Class
Antibacterial
 DG01787  Sulfonamide antibacterial
  DG01785  Intermediate-acting sulfonamide
Remark
Same as: C13061
ATC code: J01EC01
Chemical structure group: DG02848
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Comment
Sulfonamide
Target
dihydropteroate synthase [KO:K00796]
  Pathway
ko00790  Folate biosynthesis
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01E SULFONAMIDES AND TRIMETHOPRIM
    J01EC Intermediate-acting sulfonamides
     J01EC01 Sulfamethoxazole
      D01601  Acetylsulfamethoxazole (JAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01785  Intermediate-acting sulfonamide
    DG02848  Sulfamethoxazole
     D01601  Acetylsulfamethoxazole
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Intermediate-acting sulfonamide
    D01601  Acetylsulfamethoxazole (JAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01785  Intermediate-acting sulfonamide
    DG02848  Sulfamethoxazole
Other DBs
CAS: 21312-10-7
PubChem: 7848664
ChEBI: 31169
LigandBox: D01601
NIKKAJI: J226.185E
LinkDB
KCF data

ATOM        20
            1   C8y C    26.8280  -18.3588
            2   S4a S    28.0408  -17.6547
            3   C8x C    26.8280  -19.7609
            4   C8x C    25.6210  -17.6547
            5   N1b N    29.2594  -18.3588
            6   C8x C    25.6210  -20.4589
            7   C8x C    24.4081  -18.3588
            8   C8y C    30.4722  -17.6547
            9   C8y C    24.4081  -19.7609
            10  C8x C    31.7953  -18.0832
            11  N5x N    30.4670  -16.2482
            12  N1b N    23.1896  -20.4589
            13  C8y C    32.6215  -16.9441
            14  O2x O    31.7881  -15.8162
            15  C5a C    21.9661  -19.7471
            16  C1a C    20.7380  -20.4507
            17  O5a O    21.9709  -18.3317
            18  O3c O    27.0640  -16.6883
            19  O3c O    29.0298  -16.6883
            20  C1a C    34.0106  -16.9378
BOND        21
            1     1   4 2
            2     2   5 1
            3     3   6 2
            4     4   7 1
            5     5   8 1
            6     6   9 1
            7     8  10 1
            8     8  11 2
            9     9  12 1
            10   10  13 2
            11   11  14 1
            12    7   9 2
            13   13  14 1
            14   12  15 1
            15    1   2 1
            16   15  16 1
            17    1   3 1
            18   15  17 2
            19    2  18 2
            20    2  19 2
            21   13  20 1

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