KEGG   COMPOUND: C20139Help
Entry
C20139                      Compound                               

Name
Ansamitocinoside P-3;
AGP-3
Formula
C37H51ClN2O14
Exact mass
782.3029
Mol weight
783.2588
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Enzyme
2.1.3.-         2.4.1.-
Other DBs
PubChem: 135626599
LinkDB All DBs
KCF data Show

ATOM        54
            1   C8y C    13.7900  -16.0300
            2   C8x C    13.7900  -17.4300
            3   C8y C    14.9800  -18.1300
            4   C8x C    16.2400  -17.4300
            5   C8y C    16.2400  -16.0300
            6   C8y C    14.9800  -15.3300
            7   C1y C    23.5200  -17.4300
            8   C1x C    22.2600  -18.1300
            9   C1z C    22.2600  -19.5300
            10  C1y C    21.0700  -20.2300
            11  C2x C    19.8100  -19.5300
            12  C2x C    18.6200  -20.2300
            13  C2x C    17.4300  -19.5300
            14  C2y C    16.1700  -20.2300
            15  O2a O    21.0700  -21.6300
            16  C1x C    14.9800  -19.5300
            17  C1a C    16.1700  -21.6300
            18  C1y C    23.5200  -16.0300
            19  N1y N    17.2200  -14.8400
            20  C5x C    18.6200  -14.8400
            21  C1x C    19.3200  -13.5800
            22  C1y C    20.7200  -13.5800
            23  C1z C    21.4200  -14.7700
            24  C1y C    22.8200  -14.7700
            25  O5x O    19.3200  -16.0300
            26  O7a O    21.4200  -12.4600
            27  C1a C    20.7200  -15.9600
            28  C1a C    24.8500  -15.6800
            29  O2a O    12.6000  -15.3300
            30  X   Cl   14.9800  -13.9300
            31  C1a C    19.8800  -22.3300
            32  C1a C    11.3400  -16.1000
            33  N1x N    23.4500  -20.2300
            34  C7x C    24.7100  -19.5300
            35  O7x O    24.7100  -18.1300
            36  O6a O    25.9000  -20.2300
            37  O1a O    22.2600  -20.9300
            38  C7a C    22.8200  -12.4600
            39  C1c C    23.5200  -11.2700
            40  O6a O    23.5200  -13.6500
            41  C1a C    24.9200  -11.2700
            42  C1a C    22.8200  -10.0800
            43  O2x O    22.1200  -13.5800
            44  C1y C    16.0300  -10.5700
            45  C1y C    16.0300  -11.9700
            46  C1y C    17.2200  -12.6700
            47  O2x O    18.4800  -11.9700
            48  C1y C    18.4800  -10.5700
            49  C1y C    17.2200   -9.8700
            50  O1a O    14.8400  -12.6700
            51  O1a O    14.8400   -9.8700
            52  O1a O    17.2200   -8.4700
            53  C1b C    19.6700   -9.8700
            54  O1a O    19.6700   -8.4700
BOND        58
            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   10  15 1 #Down
            15   14  16 1
            16   16   3 1
            17   14  17 1
            18    7  18 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  18 1
            25   20  25 2
            26   22  26 1 #Down
            27   23  27 1 #Up
            28   18  28 1 #Down
            29    5  19 1
            30    1  29 1
            31    6  30 1
            32   15  31 1
            33   29  32 1
            34    9  33 1
            35   33  34 1
            36   34  35 1
            37    7  35 1
            38   34  36 2
            39    9  37 1 #Down
            40   26  38 1
            41   38  39 1
            42   38  40 2
            43   39  41 1
            44   39  42 1
            45   23  43 1
            46   43  24 1
            47   44  45 1
            48   45  46 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   44  49 1
            53   46  19 1 #Up
            54   45  50 1 #Down
            55   44  51 1 #Up
            56   49  52 1 #Down
            57   48  53 1 #Up
            58   53  54 1

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