KEGG   COMPOUND: C02811
Entry
C02811                      Compound                               
Name
Anhydrotetracycline
Formula
C22H22N2O7
Exact mass
426.1427
Mol weight
426.4193
Structure
Reaction
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
M00823  Chlortetracycline biosynthesis, pretetramide => chlortetracycline
Enzyme
1.14.13.38      2.1.1.335
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK07 Linear tetracyclines
   C02811  Anhydrotetracycline
Other DBs
PubChem: 5761
ChEBI: 17146 191005
PDB-CCD: TDC[PDBj]
3DMET: B01603
NIKKAJI: J114.616E
KCF data

ATOM        31
            1   C1y C    19.6546  -14.3987
            2   C1z C    19.6372  -15.7987
            3   C1x C    18.4525  -13.6861
            4   C1y C    20.8801  -13.7154
            5   C5x C    18.4234  -16.4809
            6   C5x C    20.9093  -16.5099
            7   O1a O    19.2696  -16.9133
            8   C8y C    17.2331  -14.3753
            9   C2y C    22.0761  -14.4337
            10  N1c N    20.8275  -12.3149
            11  C8y C    17.2215  -15.7754
            12  O5x O    18.4175  -17.8869
            13  C2y C    22.0587  -15.8337
            14  O5x O    20.9560  -17.9102
            15  C8y C    16.0193  -13.6687
            16  O1a O    23.3016  -13.7503
            17  C1a C    22.0528  -11.6330
            18  C1a C    19.6254  -11.5980
            19  C8y C    16.0077  -16.4692
            20  C5a C    23.2608  -16.5449
            21  C8y C    14.8126  -14.3694
            22  C1a C    16.0251  -12.3384
            23  C8y C    14.8067  -15.7697
            24  O1a O    16.0077  -17.8754
            25  N1a N    24.4863  -15.8687
            26  O5a O    23.2434  -17.9511
            27  C8x C    13.5989  -13.6628
            28  C8y C    13.5989  -16.4692
            29  C8x C    12.3795  -14.3694
            30  C8x C    12.3795  -15.7697
            31  O1a O    13.6046  -17.8695
BOND        34
            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 1
            11    5  12 2
            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 2
            21   15  22 1
            22   19  23 2
            23   19  24 1
            24   20  25 1
            25   20  26 2
            26   21  27 1
            27   23  28 1
            28   27  29 2
            29   28  30 2
            30   28  31 1
            31    8  11 2
            32    9  13 2
            33   21  23 1
            34   29  30 1

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