KEGG   COMPOUND: C06570
Entry
C06570                      Compound                               
Name
Tetracycline
Formula
C22H24N2O8
Exact mass
444.1533
Mol weight
444.43
Structure
Remark
Same as: D00201
Reaction
Pathway
map00253  Tetracycline biosynthesis
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04976  Bile secretion
Module
M00780  Tetracycline/oxytetracycline biosynthesis, pretetramide => tetracycline/oxytetracycline
M00823  Chlortetracycline biosynthesis, pretetramide => chlortetracycline
Enzyme
1.3.98.4        1.14.13.231     1.14.19.49
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Polyketides and nonribosomal peptides
   Tetracyclines
    C06570  Tetracycline
Lipids [BR:br08002]
 PK  Polyketides
  PK07 Linear tetracyclines
   C06570  Tetracycline
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C06570
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
     A01AB13 Tetracycline
      D00201  Tetracycline (JAN/USP/INN)
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06A ANTIBIOTICS FOR TOPICAL USE
    D06AA Tetracycline and derivatives
     D06AA04 Tetracycline
      D00201  Tetracycline (JAN/USP/INN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA07 Tetracycline
      D00201  Tetracycline (JAN/USP/INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA09 Tetracycline
      D00201  Tetracycline (JAN/USP/INN)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA08 Tetracycline
      D00201  Tetracycline (JAN/USP/INN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA02 Tetracycline
      D00201  Tetracycline (JAN/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Tetracycline
    D00201  Tetracycline (JAN/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01197  Tetracycline antibiotic
   DG00005  Tetracycline
    D00201  Tetracycline
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Tetracycline
    D00201  Tetracycline (JAN/USP/INN)
Other DBs
CAS: 60-54-8
PubChem: 8799
ChEBI: 27902
PDB-CCD: TAC[PDBj]
NIKKAJI: J209.316B
LinkDB
KCF data

ATOM        32
            1   C1y C    26.1816  -17.5899
            2   C1z C    26.1641  -18.9900
            3   C1x C    24.9807  -16.8809
            4   C1y C    27.4061  -16.9103
            5   C2y C    24.9515  -19.6756
            6   C5x C    27.3652  -19.7048
            7   O1a O    26.1465  -20.3845
            8   C1y C    23.7621  -17.5665
            9   C2y C    28.6013  -17.6251
            10  N1c N    27.4236  -15.5100
            11  C2y C    23.7504  -18.9666
            12  O1a O    24.9455  -21.0816
            13  C2y C    28.6538  -19.0252
            14  O5x O    27.3418  -21.1050
            15  C1z C    22.5493  -16.8634
            16  O1a O    29.8258  -16.9455
            17  C1a C    28.6481  -14.8247
            18  C1a C    26.2226  -14.7894
            19  C5x C    22.5376  -19.6639
            20  C5a C    29.7847  -19.7401
            21  C8y C    21.3366  -17.5605
            22  C1a C    22.5551  -15.4632
            23  C8y C    21.3306  -18.9608
            24  O5x O    22.5376  -21.0700
            25  N1a N    31.0092  -19.0605
            26  O5a O    29.7672  -21.1461
            27  C8x C    20.1239  -16.8575
            28  C8y C    20.1239  -19.6639
            29  C8x C    18.9053  -17.5605
            30  C8x C    18.9053  -18.9608
            31  O1a O    20.1296  -21.0641
            32  O1a O    21.3365  -16.1632
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Down
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   10  18 1
            18   11  19 1
            19   13  20 1
            20   15  21 1
            21   15  22 1 #Down
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   20  26 2
            26   21  27 2
            27   23  28 2
            28   27  29 1
            29   28  30 1
            30   28  31 1
            31    8  11 1
            32    9  13 2
            33   21  23 1
            34   29  30 2
            35   15  32 1 #Up

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