KEGG   COMPOUND: C18136
Entry
C18136                      Compound                               
Name
2''-Adenylylgentamicin A
Formula
C28H48N9O16P
Exact mass
797.2957
Mol weight
797.7052
Structure
Reaction
Enzyme
Other DBs
PubChem: 96024353
ChEBI: 81533
LinkDB
KCF data

ATOM        54
            1   C1x C    32.5302  -25.1704
            2   C1y C    32.5302  -26.5685
            3   C1y C    33.7409  -27.2676
            4   C1y C    34.9518  -26.5685
            5   C1y C    34.9518  -25.1704
            6   O2x O    33.7409  -24.4714
            7   O2a O    36.1812  -24.4604
            8   C1y C    37.3921  -23.7613
            9   C1y C    38.6312  -24.4769
            10  C1x C    39.8421  -23.7779
            11  C1y C    39.8423  -22.3797
            12  C1y C    38.6032  -21.6642
            13  C1y C    37.3923  -22.3631
            14  N1b N    33.7409  -28.6656
            15  C1a C    32.5134  -29.3745
            16  N1a N    38.6310  -25.8693
            17  O1a O    36.2098  -21.6801
            18  N1a N    41.0765  -21.6671
            19  O2a O    38.6034  -20.2770
            20  C1y C    39.8208  -19.5743
            21  O2x O    41.0177  -20.2658
            22  C1y C    42.2287  -19.5670
            23  C1y C    42.2290  -18.1689
            24  C1y C    41.0321  -17.4774
            25  C1y C    39.8211  -18.1761
            26  C1b C    43.4579  -20.2771
            27  N1a N    38.5967  -17.4687
            28  O1a O    31.3508  -27.2489
            29  O1a O    41.0324  -16.1024
            30  O1a O    43.4191  -17.4826
            31  O1a O    43.4573  -21.7036
            32  N4y N    43.9359  -28.6767
            33  C8y C    45.0089  -29.4174
            34  C1y C    42.6530  -29.0966
            35  C8x C    44.4199  -27.2771
            36  C8y C    46.2452  -28.5075
            37  N5x N    45.1430  -30.8401
            38  O2x O    41.5100  -28.2393
            39  C1y C    42.2214  -30.3504
            40  N5x N    45.8721  -27.2830
            41  C8y C    47.5049  -29.0616
            42  C8x C    46.4726  -31.4291
            43  C1y C    40.4021  -29.0382
            44  C1y C    40.8335  -30.3504
            45  O1a O    42.8805  -31.4875
            46  N5x N    47.6681  -30.5545
            47  N1a N    48.6127  -28.2336
            48  C1b C    39.0783  -28.6068
            49  O1a O    40.3845  -31.6742
            50  O2b O    38.0403  -29.5339
            51  P1b P    36.6407  -29.5339
            52  O1c O    36.6350  -30.9335
            53  O1c O    35.2471  -29.5339
            54  O2b O    36.6350  -28.1402
BOND        59
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1 #Down
            8     8   7 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    3  14 1 #Up
            16   14  15 1
            17    9  16 1 #Up
            18   13  17 1 #Up
            19   11  18 1 #Up
            20   12  19 1 #Down
            21   20  19 1 #Down
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   22  26 1 #Up
            29   25  27 1 #Down
            30    2  28 1 #Down
            31   24  29 1 #Up
            32   23  30 1 #Down
            33   26  31 1
            34   32  33 1
            35   34  32 1 #Up
            36   32  35 1
            37   33  36 2
            38   33  37 1
            39   34  38 1
            40   34  39 1
            41   35  40 2
            42   36  41 1
            43   37  42 2
            44   38  43 1
            45   39  44 1
            46   39  45 1 #Down
            47   41  46 2
            48   41  47 1
            49   43  48 1 #Up
            50   44  49 1 #Down
            51   48  50 1
            52   50  51 1
            53   51  52 1
            54   51  53 2
            55   51  54 1
            56   36  40 1
            57   42  46 1
            58   43  44 1
            59    4  54 1 #Down

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