KEGG   DRUG: Chlortetracycline hydrochloride
Entry
D02255                      Drug                                   

Name
Chlortetracycline hydrochloride (JAN/USP);
CTC;
Aureomycin (TN)
Formula
C22H23ClN2O8. HCl
Exact mass
514.091
Mol weight
515.3406
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: A01AB21 D06AA02 J01AA03 S01AA02
Chemical structure group: DG00007
Efficacy
Antibacterial, Antiprotozoal, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
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
      D02255  Chlortetracycline hydrochloride (JAN/USP)
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06A ANTIBIOTICS FOR TOPICAL USE
    D06AA Tetracycline and derivatives
     D06AA02 Chlortetracycline
      D02255  Chlortetracycline hydrochloride (JAN/USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA03 Chlortetracycline
      D02255  Chlortetracycline hydrochloride (JAN/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA02 Chlortetracycline
      D02255  Chlortetracycline hydrochloride (JAN/USP)
Other DBs
CAS: 64-72-2
PubChem: 7849314
ChEMBL: CHEMBL2146063
LigandBox: D02255
NIKKAJI: J231.286G
LinkDB
KCF data

ATOM        34
            1   C8x C    18.3490  -15.6542
            2   C8x C    18.3490  -17.0419
            3   C8y C    19.5507  -17.7357
            4   C8y C    20.7525  -17.0419
            5   C8y C    20.7525  -15.6542
            6   C8y C    19.5507  -14.9604
            7   C5x C    21.9543  -17.7357
            8   C2y C    23.1560  -17.0419
            9   C1y C    23.1560  -15.6542
            10  C1z C    21.9543  -14.9604
            11  C2y C    24.3578  -17.7357
            12  C1z C    25.5595  -17.0419
            13  C1y C    25.5595  -15.6542
            14  C1x C    24.3578  -14.9604
            15  C5x C    26.7613  -17.7357
            16  C2y C    27.9631  -17.0419
            17  C2y C    27.9631  -15.6542
            18  C1y C    26.7613  -14.9604
            19  X   Cl   19.5507  -13.5729
            20  O1a O    19.5507  -19.1232
            21  O5x O    21.9543  -19.1234
            22  O1a O    24.3578  -19.1231
            23  O5x O    26.7613  -19.1233
            24  C5a C    29.1873  -17.7490
            25  O1a O    29.1873  -14.9471
            26  N1a N    30.3840  -17.0583
            27  O5a O    29.1869  -19.1233
            28  O1a O    20.7525  -14.2665
            29  C1a C    21.9543  -13.0870
            30  N1c N    26.7613  -13.5728
            31  O1a O    25.5595  -18.4295
            32  C1a C    25.5468  -12.8715
            33  C1a C    27.9504  -12.8862
            34  X   Cl   33.0400  -15.6100
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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KEGG   DRUG: Chlortetracycline bisulfate
Entry
D03477                      Drug                                   

Name
Chlortetracycline bisulfate (USP)
Formula
C22H23ClN2O8. H2SO4
Exact mass
576.0817
Mol weight
576.9581
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: A01AB21 D06AA02 J01AA03 S01AA02
Chemical structure group: DG00007
Efficacy
Antibacterial, Antiprotozoal, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
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
      D03477  Chlortetracycline bisulfate (USP)
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06A ANTIBIOTICS FOR TOPICAL USE
    D06AA Tetracycline and derivatives
     D06AA02 Chlortetracycline
      D03477  Chlortetracycline bisulfate (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA03 Chlortetracycline
      D03477  Chlortetracycline bisulfate (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA02 Chlortetracycline
      D03477  Chlortetracycline bisulfate (USP)
Other DBs
PubChem: 17397613
ChEMBL: CHEMBL2106006
LigandBox: D03477
LinkDB
KCF data

ATOM        38
            1   C8x C     6.9300  -18.8300
            2   C8x C     6.9300  -20.2300
            3   C8y C     8.1424  -20.9300
            4   C8y C     9.3549  -20.2300
            5   C8y C     9.3549  -18.8300
            6   C8y C     8.1424  -18.1300
            7   C5x C    10.5673  -20.9300
            8   C2y C    11.7797  -20.2300
            9   C1y C    11.7797  -18.8300
            10  C1z C    10.5673  -18.1300
            11  C2y C    12.9922  -20.9300
            12  C1z C    14.2046  -20.2300
            13  C1y C    14.2046  -18.8300
            14  C1x C    12.9922  -18.1300
            15  C5x C    15.4170  -20.9300
            16  C2y C    16.6295  -20.2300
            17  C2y C    16.6295  -18.8300
            18  C1y C    15.4170  -18.1300
            19  X   Cl    8.1424  -16.7302
            20  O1a O     8.1424  -22.3298
            21  O5x O    10.5673  -22.3300
            22  O1a O    12.9922  -22.3297
            23  O5x O    15.4170  -22.3299
            24  C5a C    17.8646  -20.9434
            25  O1a O    17.8646  -18.1166
            26  N1a N    19.0719  -20.2466
            27  O5a O    17.8642  -22.3299
            28  O1a O     9.3549  -17.4300
            29  C1a C    10.5673  -16.2400
            30  N1c N    15.4170  -16.7301
            31  O1a O    14.2046  -21.6300
            32  C1a C    14.1918  -16.0226
            33  C1a C    16.6167  -16.0374
            34  S4a S    23.1420  -19.1500
            35  O1d O    23.1420  -17.7500
            36  O1d O    23.1420  -20.5500
            37  O1d O    21.7419  -19.1500
            38  O1d O    24.5419  -19.1500
BOND        40
            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
            37   34  35 2
            38   34  36 2
            39   34  37 1
            40   34  38 1

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KEGG   DRUG: Chlortetracycline
Entry
D07689                      Drug                                   

Name
Chlortetracycline (INN);
Aureomycin (TN)
Formula
C22H23ClN2O8
Exact mass
478.1143
Mol weight
478.8796
Structure
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
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)
Other DBs
CAS: 57-62-5
PubChem: 51091990
ChEBI: 27644
ChEMBL: CHEMBL404520
PDB-CCD: CTC[PDBj]
LigandBox: D07689
NIKKAJI: J4.583G
LinkDB
KCF data

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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