KEGG   COMPOUND: C12003Help
Entry
C12003                      Compound                               

Name
Demethyllactenocin
Formula
C37H61NO14
Exact mass
743.4092
Mol weight
743.8785
Structure
Mol fileKCF fileDB search
Sequence
0 Mtk  1 Mtd  2 Mtd  3 Man  4 Mte  5 Etk  6 Mtk  7 Man
  Gene
0-2 tylG [UP:O33954]; 3 tylG [UP:O33955]; 4-5 tylG [UP:O33956];
6 tylG [UP:O33957]; 7 tylG [UP:O33958]
  Organism
Streptomyces fradiae
  Type
PK
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00773  Tylosin biosynthesis, methylmalonyl-CoA + malonyl-CoA => tylactone => tylosin
Enzyme
2.4.1.317       2.4.1.318
Other DBs
PubChem: 14164
ChEBI: 29572
3DMET: B04409
NIKKAJI: J2.779.940J
KCF data Show

ATOM        52
            1   C1b C    25.4765  -19.8815
            2   O2a O    23.9171  -21.0346
            3   C1y C    22.0649  -22.4744
            4   C1y C    22.0649  -23.7829
            5   O2x O    20.9298  -21.8172
            6   C1y C    20.9298  -24.4462
            7   O1a O    23.2121  -24.4462
            8   C1y C    19.7885  -22.4744
            9   C1y C    19.7885  -23.7829
            10  O1a O    20.9298  -25.7545
            11  C1a C    18.6594  -21.8172
            12  O1a O    18.6594  -24.4462
            13  C1y C    30.6744  -25.4438
            14  C1y C    31.8037  -26.1010
            15  O1a O    29.5572  -26.1010
            16  C1y C    30.6744  -24.1473
            17  C1y C    32.9388  -25.4438
            18  N1c N    31.8037  -27.3975
            19  O2x O    31.8037  -23.5020
            20  C1a C    29.5633  -23.5020
            21  C1y C    32.9388  -24.1473
            22  O1a O    34.0621  -26.1010
            23  C1a C    32.9268  -28.0489
            24  C1a C    30.6805  -28.0489
            25  O2a O    34.5819  -21.9905
            26  C1y C    32.3592  -19.9352
            27  C1y C    32.3533  -18.6028
            28  C1y C    31.2122  -20.6104
            29  C1x C    31.1942  -17.9517
            30  C1b C    33.4705  -17.9456
            31  C1y C    31.2181  -21.9427
            32  C1a C    30.0830  -19.9711
            33  C1y C    31.1942  -16.6371
            34  C4a C    34.5997  -18.5850
            35  C1x C    30.0591  -22.6118
            36  O1a O    32.3474  -22.5940
            37  C5x C    30.0531  -15.9919
            38  C1a C    32.3175  -15.9860
            39  O4a O    35.7230  -17.9278
            40  C7x C    28.8820  -21.9607
            41  C2x C    28.9298  -16.6371
            42  O5x O    30.0531  -14.7035
            43  O7x O    27.6991  -22.6059
            44  O6a O    28.8820  -20.6641
            45  C2x C    28.9298  -17.9517
            46  C1y C    26.5400  -21.9068
            47  C2y C    27.7828  -18.6028
            48  C1y C    26.5221  -20.5326
            49  C1b C    25.3988  -22.5281
            50  C2x C    27.7648  -19.9172
            51  C1a C    26.6654  -17.9397
            52  C1a C    25.3630  -23.8307
BOND        54
            1     1   2 1
            2     3   2 1 #Up
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     5   8 1
            8     6   9 1
            9     6  10 1 #Down
            10    8  11 1 #Up
            11    9  12 1 #Down
            12    8   9 1
            13   13  14 1
            14   13  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   16  20 1 #Up
            20   17  21 1
            21   17  22 1 #Down
            22   18  23 1
            23   18  24 1
            24   21  25 1 #Up
            25   26  25 1 #Down
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   28  32 1 #Down
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   31  36 1 #Down
            36   33  37 1
            37   33  38 1 #Down
            38   34  39 2
            39   35  40 1
            40   37  41 1
            41   37  42 2
            42   40  43 1
            43   40  44 2
            44   41  45 2
            45   43  46 1
            46   45  47 1
            47   46  48 1
            48   46  49 1 #Down
            49   47  50 2
            50   47  51 1
            51   48   1 1 #Up
            52   49  52 1
            53   19  21 1
            54   48  50 1

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