KEGG   COMPOUND: C20135Help
Entry
C20135                      Compound                               

Name
20-O-Methyl-19-chloroproansamitocin
Formula
C26H34ClNO6
Exact mass
491.2075
Mol weight
492.0043
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Enzyme
2.1.3.-
Other DBs
PubChem: 135626595
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    13.7642  -14.8756
            2   C8x C    13.7642  -16.2705
            3   C8y C    14.9499  -16.9679
            4   C8x C    16.2053  -16.2705
            5   C8y C    16.2053  -14.8756
            6   C8y C    14.9499  -14.1781
            7   C1y C    23.4588  -16.2705
            8   C1x C    22.2034  -16.9679
            9   C5x C    22.2034  -18.3628
            10  C1y C    21.0177  -19.0603
            11  C2x C    19.7623  -18.3628
            12  C2x C    18.5766  -19.0603
            13  C2x C    17.3910  -18.3628
            14  C2y C    16.1356  -19.0603
            15  O1a O    24.6445  -16.9679
            16  O5x O    23.3890  -19.0603
            17  O2a O    21.0177  -20.4552
            18  C1x C    14.9499  -18.3628
            19  C1a C    16.1356  -20.4552
            20  C1y C    23.4588  -14.8756
            21  N1x N    17.1817  -13.6899
            22  C5x C    18.5766  -13.6899
            23  C1x C    19.2741  -12.4345
            24  C1y C    20.6690  -12.4345
            25  C2y C    21.3664  -13.6202
            26  C2x C    22.7613  -13.6202
            27  O5x O    19.2741  -14.8756
            28  O1a O    21.3664  -11.2488
            29  C1a C    20.6690  -14.8058
            30  C1a C    24.7839  -14.5268
            31  O2a O    12.5534  -14.1830
            32  X   Cl   15.0028  -12.7833
            33  C1a C    19.8068  -21.1477
            34  C1a C    11.3145  -14.9046
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    7  15 1 #Up
            15    9  16 2
            16   10  17 1 #Down
            17   14  18 1
            18   18   3 1
            19   14  19 1
            20    7  20 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 2
            26   26  20 1
            27   22  27 2
            28   24  28 1 #Down
            29   25  29 1
            30   20  30 1 #Down
            31    5  21 1
            32    1  31 1
            33    6  32 1
            34   17  33 1
            35   31  34 1

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