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 search
Reaction
Pathway
map00253  Tetracycline biosynthesis
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Module
M00780  Tetracycline/oxytetracycline biosynthesis, pretetramide => tetracycline/oxytetracycline
M00823  Chlortetracycline biosynthesis, pretetramide => chlortetracycline
Enzyme
1.3.98.4        1.14.13.38      1.14.13.234
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK07 Linear tetracyclines
   C03206  12-Dehydrotetracycline
BRITE hierarchy
Other DBs
PubChem: 6082
ChEBI: 15808
3DMET: B01639
NIKKAJI: J2.741.332C
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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