KEGG   COMPOUND: C17588
Entry
C17588                      Compound                               

Name
6'''-Deamino-6'''-hydroxyneomycin C;
6'''-Hydroxyneomycin C;
Neomycin Y2
Formula
C23H45N5O14
Exact mass
615.2963
Mol weight
615.6285
Structure
Reaction
Pathway
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.3.44        3.5.1.113
Other DBs
PubChem: 96023933
ChEBI: 65043
KCF data

ATOM        42
            1   O1a O    28.7310  -19.9051
            2   C1y C    29.9224  -19.2043
            3   C1y C    31.1838  -19.9752
            4   C1x C    32.3752  -19.2744
            5   C1y C    32.3752  -17.8728
            6   C1y C    31.1838  -17.1720
            7   C1y C    29.9224  -17.8728
            8   N1a N    31.1838  -21.3768
            9   O2a O    28.7310  -17.1720
            10  N1a N    33.6367  -17.1720
            11  O2a O    31.1838  -15.7703
            12  C1y C    32.3752  -15.0695
            13  O2x O    33.5666  -15.7703
            14  C1y C    34.7580  -15.0695
            15  C1y C    34.7580  -13.6679
            16  C1y C    33.5666  -12.9671
            17  C1y C    32.3752  -13.6679
            18  C1b C    36.0194  -15.7703
            19  N1a N    31.1138  -12.9671
            20  O1a O    33.5666  -11.5655
            21  O1a O    35.9494  -12.9671
            22  N1a N    36.0194  -17.1720
            23  C1y C    25.5072  -18.9240
            24  C1y C    26.9089  -18.9240
            25  C1y C    27.3294  -17.5924
            26  O2x O    26.2081  -16.7515
            27  C1y C    25.0868  -17.5924
            28  C1b C    23.7552  -17.1720
            29  O1a O    22.7040  -18.0830
            30  O2a O    24.6663  -20.0453
            31  O1a O    27.7499  -20.0453
            32  C1y C    21.0220  -20.7461
            33  C1y C    21.0220  -22.1477
            34  C1y C    22.2134  -22.8486
            35  C1y C    23.4749  -22.1477
            36  C1y C    23.4749  -20.7461
            37  O2x O    22.2134  -20.0453
            38  N1a N    24.6663  -22.8486
            39  O1a O    19.8307  -22.8486
            40  O1a O    22.2134  -24.2502
            41  C1b C    19.8307  -20.0453
            42  O1a O    18.6393  -20.7461
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 1

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