KEGG   COMPOUND: C17587Help
Entry
C17587                      Compound                               

Name
2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C
Formula
C25H47N5O15
Exact mass
657.3069
Mol weight
657.6652
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
2.4.1.285       3.5.1.113
Other DBs
PubChem: 96023932
ChEBI: 65044
LinkDB All DBs
KCF data Show

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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