KEGG   COMPOUND: C17589Help
Entry
C17589                      Compound                               

Name
6'''-Deamino-6'''-oxoneomycin C;
6'''-Oxoneomycin C;
6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C
Formula
C23H43N5O14
Exact mass
613.2807
Mol weight
613.6126
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
1.1.3.44        2.6.1.95
Other DBs
PubChem: 96023934
ChEBI: 65068 65098
LinkDB All DBs
KCF data Show

ATOM        42
            1   O1a O    28.7156  -20.2444
            2   C1y C    29.9064  -19.5440
            3   C1y C    31.1671  -20.3145
            4   C1x C    32.3579  -19.6141
            5   C1y C    32.3579  -18.2132
            6   C1y C    31.1671  -17.5128
            7   C1y C    29.9064  -18.2132
            8   N1a N    31.1671  -21.7153
            9   O2a O    28.7156  -17.5128
            10  N1a N    33.6187  -17.5128
            11  O2a O    31.1671  -16.1119
            12  C1y C    32.3579  -15.4114
            13  O2x O    33.5486  -16.1119
            14  C1y C    34.7394  -15.4114
            15  C1y C    34.7394  -14.0106
            16  C1y C    33.5486  -13.3102
            17  C1y C    32.3579  -14.0106
            18  C1b C    36.0001  -16.1119
            19  N1a N    31.0971  -13.3102
            20  O1a O    33.5486  -11.9093
            21  O1a O    35.9301  -13.3102
            22  N1a N    36.0001  -17.5128
            23  C1y C    25.4935  -19.2639
            24  C1y C    26.8945  -19.2639
            25  C1y C    27.3148  -17.9330
            26  O2x O    26.1941  -17.0925
            27  C1y C    25.0734  -17.9330
            28  C1b C    23.7425  -17.5128
            29  O1a O    22.6918  -18.4233
            30  O2a O    24.6531  -20.3846
            31  O1a O    27.7350  -20.3846
            32  C1y C    21.0107  -21.0850
            33  C1y C    21.0107  -22.4858
            34  C1y C    22.2015  -23.1864
            35  C1y C    23.4623  -22.4858
            36  C1y C    23.4623  -21.0850
            37  O2x O    22.2015  -20.3846
            38  N1a N    24.6531  -23.1864
            39  O1a O    19.8201  -23.1864
            40  O1a O    22.2015  -24.5872
            41  C4a C    19.8201  -20.3846
            42  O4a O    18.6293  -21.0850
BOND        45
            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 2

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