KEGG   COMPOUND: C17587
Entry
C17587                      Compound                               

Name
2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C
Formula
C25H47N5O15
Exact mass
657.3069
Mol weight
657.6652
Structure
Reaction
Pathway
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.285       3.5.1.113
Other DBs
PubChem: 96023932
ChEBI: 65044
KCF data

ATOM        45
            1   O1a O    26.6700  -21.6300
            2   C1y C    27.8600  -20.9300
            3   C1y C    29.1200  -21.7000
            4   C1x C    30.3100  -21.0000
            5   C1y C    30.3100  -19.6000
            6   C1y C    29.1200  -18.9000
            7   C1y C    27.8600  -19.6000
            8   N1a N    29.1200  -23.1000
            9   O2a O    26.6700  -18.9000
            10  N1a N    31.5700  -18.9000
            11  O2a O    29.1200  -17.5000
            12  C1y C    30.3100  -16.8000
            13  O2x O    31.5000  -17.5000
            14  C1y C    32.6900  -16.8000
            15  C1y C    32.6900  -15.4000
            16  C1y C    31.5000  -14.7000
            17  C1y C    30.3100  -15.4000
            18  C1b C    33.9500  -17.5000
            19  N1a N    29.0500  -14.7000
            20  O1a O    31.5000  -13.3000
            21  O1a O    33.8800  -14.7000
            22  N1a N    33.9500  -18.9000
            23  C1y C    23.4500  -20.6500
            24  C1y C    24.8500  -20.6500
            25  C1y C    25.2700  -19.3200
            26  O2x O    24.1500  -18.4800
            27  C1y C    23.0300  -19.3200
            28  C1b C    21.7000  -18.9000
            29  O1a O    20.6500  -19.8100
            30  O2a O    22.6100  -21.7700
            31  O1a O    25.6900  -21.7700
            32  C1y C    18.9700  -22.4700
            33  C1y C    18.9700  -23.8700
            34  C1y C    20.1600  -24.5700
            35  C1y C    21.4200  -23.8700
            36  C1y C    21.4200  -22.4700
            37  O2x O    20.1600  -21.7700
            38  N1b N    22.6100  -24.5700
            39  O1a O    17.7800  -24.5700
            40  O1a O    20.1600  -25.9700
            41  C1b C    17.7800  -21.7700
            42  O1a O    16.5900  -22.4700
            43  C5a C    22.6100  -25.9700
            44  O5a O    21.4200  -26.6700
            45  C1a C    23.8000  -26.6700
BOND        48
            1     2   1 1 #Down
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   7 1
            8     3   8 1 #Up
            9     7   9 1 #Up
            10    5  10 1 #Up
            11    6  11 1 #Down
            12   12  11 1 #Down
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   14  18 1 #Up
            20   17  19 1 #Down
            21   16  20 1 #Up
            22   15  21 1 #Down
            23   18  22 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   23  27 1
            29   27  28 1 #Up
            30   28  29 1
            31   23  30 1 #Down
            32   24  31 1 #Down
            33   25   9 1 #Up
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   32  37 1
            40   36  30 1 #Down
            41   35  38 1 #Down
            42   33  39 1 #Down
            43   34  40 1 #Up
            44   32  41 1 #Up
            45   41  42 1
            46   38  43 1
            47   43  44 2
            48   43  45 1

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