KEGG   COMPOUND: C03206Help
Entry
C03206                      Compound                               

Name
5a,11a-Dehydrotetracycline;
12-Dehydrotetracycline
Formula
C22H22N2O8
Exact mass
442.1376
Mol weight
442.4187
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Tetracycline biosynthesis
Biosynthesis of type II polyketide products
Biosynthesis of antibiotics
Module
M00780  
Tetracycline/oxytetracycline biosynthesis, pretetramide => tetracycline/oxytetracycline
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK07 Linear tetracyclines
   C03206  12-Dehydrotetracycline
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C1y C    27.6891  -15.6789
            2   C1z C    27.7081  -17.1048
            3   C1x C    26.4477  -14.9722
            4   C1y C    28.9178  -14.9341
            5   C5x C    26.4795  -17.8178
            6   C5x C    28.9687  -17.8052
            7   O1a O    27.7081  -18.4155
            8   C2y C    25.3018  -15.7043
            9   C2y C    30.1784  -15.6343
            10  N1c N    28.9178  -13.6107
            11  C2y C    25.2381  -17.1176
            12  O5x O    26.4859  -19.2059
            13  C2y C    30.1392  -17.0794
            14  O5x O    28.9957  -19.1222
            15  C1z C    24.0029  -14.9976
            16  O1a O    31.3625  -14.9213
            17  C1a C    30.1147  -12.8459
            18  C1a C    27.7146  -12.8524
            19  C5x C    24.0157  -17.8115
            20  C5a C    31.4197  -17.7541
            21  C8y C    22.7935  -15.7106
            22  C1a C    23.1301  -13.7060
            23  O1a O    24.8290  -13.5661
            24  C8y C    22.7935  -17.1113
            25  O5x O    24.0157  -19.1994
            26  O5a O    31.4325  -19.1357
            27  N1a N    32.6038  -17.0411
            28  C8x C    21.5776  -15.0168
            29  C8y C    21.5776  -17.8178
            30  C8x C    20.3807  -15.7106
            31  C8x C    20.3807  -17.1113
            32  O1a O    21.5712  -19.2059
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 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 1
            21   15  22 1 #Down
            22   15  23 1 #Up
            23   19  24 1
            24   19  25 2
            25   20  26 2
            26   20  27 1
            27   21  28 1
            28   24  29 1
            29   28  30 2
            30   29  31 2
            31   29  32 1
            32    8  11 2
            33    9  13 2
            34   21  24 2
            35   30  31 1

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