KEGG   COMPOUND: C06624
Entry
C06624                      Compound                               
Name
Oxytetracycline;
Oxytetracycline anhydrous
Formula
C22H24N2O9
Exact mass
460.1482
Mol weight
460.434
Structure
Remark
ATC code: A01AB25 D06AA03 G01AA07 J01AA06 S01AA04
Drug group: DG00397
Reaction
R09192 R11525
Pathway
map00253  Tetracycline biosynthesis
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00780  Tetracycline/oxytetracycline biosynthesis, pretetramide => tetracycline/oxytetracycline
Enzyme
1.3.98.4        1.14.13.231
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK07 Linear tetracyclines
   C06624  Oxytetracycline
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Antibiotic fungicides
    C06624  Oxytetracycline
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
     A01AB25 Oxytetracycline
      C06624  Oxytetracycline
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06A ANTIBIOTICS FOR TOPICAL USE
    D06AA Tetracycline and derivatives
     D06AA03 Oxytetracycline
      C06624  Oxytetracycline
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AA Antibiotics
     G01AA07 Oxytetracycline
      C06624  Oxytetracycline
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA06 Oxytetracycline
      C06624  Oxytetracycline
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA04 Oxytetracycline
      C06624  Oxytetracycline
Drug groups [BR:br08330]
 Antibacterial
  DG01197  Tetracycline antibiotic
   DG00397  Oxytetracycline
    C06624  Oxytetracycline
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C06624
Other DBs
CAS: 79-57-2
PubChem: 8850
ChEBI: 27701
LIPIDMAPS: LMPK07000005
PDB-CCD: OTC[PDBj]
3DMET: B02077
NIKKAJI: J3.847D
LinkDB
KCF data

ATOM        33
            1   C1y C    23.3688  -17.1859
            2   C1z C    23.3455  -18.5596
            3   C1y C    22.1872  -16.4874
            4   C1y C    24.5678  -16.5107
            5   C2y C    22.1579  -19.2348
            6   C5x C    24.5271  -19.2640
            7   O1a O    23.3338  -19.9275
            8   C1y C    20.9823  -17.1626
            9   O1a O    22.1755  -14.8222
            10  C2y C    25.7436  -17.2151
            11  N1c N    24.5853  -15.1370
            12  C2y C    20.9706  -18.5363
            13  O1a O    22.2163  -20.6143
            14  C2y C    25.7260  -18.5945
            15  O5x O    24.5037  -20.6376
            16  C1z C    19.7948  -16.4640
            17  O1a O    26.9542  -16.5456
            18  C1a C    25.7901  -14.4618
            19  C1a C    24.5970  -13.4723
            20  C5x C    19.7831  -19.2231
            21  C5a C    26.9135  -19.2988
            22  C8y C    18.5958  -17.1509
            23  C1a C    19.8007  -14.6708
            24  C8y C    18.5899  -18.5305
            25  O5x O    19.7774  -20.6027
            26  N1a N    28.1125  -18.6294
            27  O5a O    26.8901  -20.6783
            28  C8x C    17.4025  -16.4640
            29  C8y C    17.4025  -19.2174
            30  C8x C    16.2094  -17.1509
            31  C8x C    16.2094  -18.5305
            32  O1a O    17.4083  -20.5968
            33  O1a O    18.5830  -15.7644
BOND        36
            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     3   9 1 #Down
            9     4  10 1
            10    4  11 1 #Down
            11    5  12 2
            12    5  13 1
            13    6  14 1
            14    6  15 2
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   11  19 1
            19   12  20 1
            20   14  21 1
            21   16  22 1
            22   16  23 1 #Down
            23   20  24 1
            24   20  25 2
            25   21  26 1
            26   21  27 2
            27   22  28 2
            28   24  29 2
            29   28  30 1
            30   29  31 1
            31   29  32 1
            32    8  12 1
            33   10  14 2
            34   22  24 1
            35   30  31 2
            36   16  33 1 #Up

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