KEGG   DRUG: ChlortetracyclineHelp
Entry
D07689                      Drug                                   

Name
Chlortetracycline (INN);
Aureomycin (TN)
Formula
C22H23ClN2O8
Exact mass
478.1143
Mol weight
478.8796
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Streptomyces aureofaciens [TAX:1894]
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
Same as: C06571
ATC code: A01AB21 D06AA02 J01AA03 S01AA02
Chemical structure group: DG00007
Efficacy
Antibacterial, Antiprotozoal, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Drug interaction
Biosynthesis
map00253  Tetracycline biosynthesis
map01057  Biosynthesis of type II polyketide products
Structure map
map07019  Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB21 Chlortetracycline
      D07689  Chlortetracycline (INN)
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06A ANTIBIOTICS FOR TOPICAL USE
    D06AA Tetracycline and derivatives
     D06AA02 Chlortetracycline
      D07689  Chlortetracycline (INN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA03 Chlortetracycline
      D07689  Chlortetracycline (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA02 Chlortetracycline
      D07689  Chlortetracycline (INN)
BRITE hierarchy
Other DBs
CAS: 57-62-5
PubChem: 51091990
ChEBI: 27644
ChEMBL: CHEMBL404520
PDB-CCD: CTC[PDBj]
LigandBox: D07689
NIKKAJI: J4.583G
KCF data Show

ATOM        33
            1   C8x C    18.1300  -17.5700
            2   C8x C    18.1300  -18.9700
            3   C8y C    19.3200  -19.6700
            4   C8y C    20.5100  -18.9700
            5   C8y C    20.5100  -17.5700
            6   C8y C    19.3200  -16.9400
            7   C5x C    21.7000  -19.6700
            8   C2y C    22.8900  -18.9700
            9   C1y C    22.8900  -17.5700
            10  C1z C    21.7000  -16.9400
            11  C2y C    24.1500  -19.6700
            12  C1z C    25.3400  -18.9700
            13  C1y C    25.3400  -17.5700
            14  C1x C    24.1500  -16.9400
            15  C5x C    26.5300  -19.6700
            16  C2y C    27.7200  -18.9700
            17  C2y C    27.7200  -17.5700
            18  C1y C    26.5300  -16.9400
            19  X   Cl   19.3200  -15.5400
            20  O1a O    19.3200  -21.0700
            21  O5x O    21.7000  -21.0700
            22  O1a O    24.1500  -21.0700
            23  O5x O    26.5300  -21.0700
            24  C5a C    28.9800  -19.6700
            25  O1a O    28.9800  -16.8700
            26  N1a N    30.1700  -18.9700
            27  O5a O    28.9800  -21.0700
            28  O1a O    20.5100  -16.2400
            29  C1a C    21.7000  -15.0500
            30  N1c N    26.5300  -15.5400
            31  O1a O    25.3400  -20.3700
            32  C1a C    25.3400  -14.8400
            33  C1a C    27.7200  -14.8400
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    6  19 1
            23    3  20 1
            24    7  21 2
            25   11  22 1
            26   15  23 2
            27   16  24 1
            28   17  25 1
            29   24  26 1
            30   24  27 2
            31   10  28 1 #Up
            32   10  29 1 #Down
            33   18  30 1 #Down
            34   12  31 1 #Down
            35   30  32 1
            36   30  33 1

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