KEGG   COMPOUND: C06574Help
Entry
C06574                      Compound                               

Name
Ampicillin;
Anhydrous ampicillin
Formula
C16H19N3O4S
Exact mass
349.1096
Mol weight
349.4048
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  beta-Lactams
   Penams
    C06574  Ampicillin
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C06574  Ampicillin
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
     J01CA01 Ampicillin
      D00204  Anhydrous ampicillin (JP17); Ampicillin (USP/INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA19 Ampicillin
      D00204  Anhydrous ampicillin (JP17); Ampicillin (USP/INN)
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Ampicillin
    D00204  Anhydrous ampicillin (JP16); Ampicillin (USP/INN)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penam
     Extended spectrum penicillin
      Ampicillin
       D00204  Anhydrous ampicillin (JP17); Ampicillin (USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00204  Anhydrous ampicillin
Animal drugs in Japan [BR:br08331]
 97  Agents against pathogenic micro-organisms and parasites (except biological products and disinfectants)
  976  Antibiotic preparations
   9761  Antibiotic preparations injection use
    C06574  Ampicillin
BRITE hierarchy
Other DBs
CAS: 
69-53-4
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1y C    25.3227  -14.8703
            2   C5x C    25.3227  -16.2752
            3   N1y N    26.7275  -16.2752
            4   C1y C    26.7275  -14.8703
            5   C1y C    28.0620  -16.6965
            6   C1z C    28.9047  -15.5726
            7   S2x S    28.0620  -14.4488
            8   C1a C    29.8882  -16.5560
            9   C1a C    29.8882  -14.5893
            10  C6a C    28.5536  -18.0310
            11  O6a O    29.9583  -18.0310
            12  O6a O    27.7107  -19.1548
            13  N1b N    24.1286  -14.1679
            14  C5a C    22.9346  -14.8703
            15  O5x O    24.1286  -16.9775
            16  O5a O    22.9346  -16.2752
            17  C1c C    21.7151  -14.1728
            18  C8y C    20.5228  -14.8680
            19  N1a N    21.7151  -12.7716
            20  C8x C    19.3092  -14.1674
            21  C8x C    18.0958  -14.8680
            22  C8x C    18.0958  -16.2693
            23  C8x C    19.3092  -16.9699
            24  C8x C    20.5228  -16.2693
BOND        26
            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
            20   17  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1

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