KEGG   COMPOUND: C20753
Entry
C20753                      Compound                               
Name
2-Methylthio-N6-dimethylallyladenine in tRNA;
2-Methylthio-N6-isopentenyladenine in tRNA;
2-(Methylsulfanyl)-N6-dimethylallyladenine in tRNA;
N6-(3-Methylbut-2-en-1-yl)-2-(methylsulfanyl)adenine in tRNA;
2-(Methylsulfanyl)-N6-prenyladenine in tRNA;
ms2i6A in tRNA
Formula
C16H24N5O7PS(C5H8O6PR)n(C5H8O6PR)n
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
1.14.99.69      2.8.4.3
Other DBs
PubChem: 254741221
LinkDB
KCF data

ATOM        56
            1   C1y C     9.8000  -19.9500
            2   C1y C    11.2000  -19.9500
            3   C1y C    11.6200  -18.6200
            4   C1y C    10.5000  -17.7800
            5   O2x O     9.3800  -18.6200
            6   O2b O    12.1800  -20.9300
            7   C1b C     8.6100  -20.6500
            8   R   R     9.8000  -16.5900
            9   O2b O     7.2100  -20.6500
            10  P1b P     5.8100  -20.6500
            11  O1c O     5.8100  -22.0500
            12  O1c O     5.8100  -19.2500
            13  O1c O     4.4100  -20.6500
            14  C1y C    19.1100  -20.2300
            15  C1y C    20.5100  -20.2300
            16  C1y C    20.9300  -18.9000
            17  C1y C    19.8100  -18.0600
            18  O2x O    18.6900  -18.9000
            19  O2b O    21.2800  -21.0700
            20  C1b C    17.9200  -20.9300
            21  O2b O    16.5200  -20.9300
            22  P1b P    15.1200  -20.9300
            23  O1c O    15.1200  -22.3300
            24  O1c O    15.1200  -19.5300
            25  C1y C    27.7900  -20.3700
            26  C1y C    29.1900  -20.3700
            27  C1y C    29.6100  -19.0400
            28  C1y C    28.4900  -18.2000
            29  O2x O    27.3700  -19.0400
            30  O1a O    30.1700  -21.3500
            31  C1b C    26.6000  -21.0700
            32  R   R    27.7900  -17.0100
            33  O2b O    25.2000  -21.0700
            34  P1b P    23.8000  -21.0700
            35  O1c O    23.8000  -22.4700
            36  O1c O    23.8000  -19.6700
            37  C8y C    19.0400  -13.8600
            38  C8y C    19.0400  -15.2600
            39  N5x N    17.8500  -15.9600
            40  C8y C    16.5900  -15.2600
            41  N5x N    16.5900  -13.8600
            42  C8y C    17.8500  -13.1600
            43  N4y N    20.3700  -15.6800
            44  C8x C    21.2100  -14.5600
            45  N5x N    20.3700  -13.4400
            46  N1b N    17.8500  -11.7600
            47  O1a O    12.6099  -17.6301
            48  O1a O    21.7099  -17.7701
            49  O1a O    30.5999  -18.0501
            50  C1b C    19.0624  -11.0600
            51  C2b C    19.0624   -9.6600
            52  C2c C    20.2749   -8.9600
            53  C1a C    21.4873   -9.6600
            54  C1a C    20.2749   -7.5600
            55  S2a S    15.3834  -15.9700
            56  C1a C    14.1737  -15.2847
BOND        60
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1 #Down
            7     1   7 1 #Up
            8     4   8 1 #Up
            9     7   9 1
            10    9  10 1
            11   10  11 2
            12   10  12 1
            13   10  13 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   14  18 1
            19   15  19 1 #Down
            20   14  20 1 #Up
            21   20  21 1
            22   21  22 1
            23   22  23 2
            24   22  24 1
            25   22   6 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   25  29 1
            31   26  30 1 #Down
            32   25  31 1 #Up
            33   28  32 1 #Up
            34   31  33 1
            35   33  34 1
            36   34  35 2
            37   34  36 1
            38   34  19 1
            39   37  38 2
            40   38  39 1
            41   39  40 2
            42   40  41 1
            43   41  42 2
            44   37  42 1
            45   38  43 1
            46   43  44 1
            47   44  45 2
            48   37  45 1
            49   42  46 1
            50   17  43 1 #Up
            51    3  47 1 #Down
            52   16  48 1 #Down
            53   27  49 1 #Down
            54   46  50 1
            55   50  51 1
            56   51  52 2
            57   52  53 1
            58   52  54 1
            59   40  55 1
            60   55  56 1
BRACKET     1     5.4600  -23.3100    5.4600  -15.9600
            1    13.5800  -15.9600   13.5800  -23.3100
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  48
 REPEAT    1
            2    23.4500  -23.7300   23.4500  -16.3800
            2    31.5700  -16.3800   31.5700  -23.7300
            2  n
 ORIGINAL  2   25  26  27  28  29  30  31  32  33  34  35  36  50
 REPEAT    2

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