KEGG   COMPOUND: C01023
Entry
C01023                      Compound                               

Name
Dihydrostreptomycin
Formula
C21H41N7O12
Exact mass
583.2813
Mol weight
583.5899
Structure
Remark
Same as: D07840
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA15 Dihydrostreptomycin
      D07840  Dihydrostreptomycin (INN)
Other DBs
CAS: 128-46-1
PubChem: 4268
ChEBI: 38291
ChEMBL: CHEMBL1950576
PDB-CCD: 71R[PDBj]
NIKKAJI: J10.276H
KCF data

ATOM        40
            1   C1y C    23.7241  -20.7903
            2   C1y C    23.7241  -22.1704
            3   C1y C    24.9661  -22.8603
            4   C1y C    26.1391  -22.1704
            5   O2x O    26.1391  -20.7903
            6   C1y C    24.9661  -20.1004
            7   O2a O    24.9661  -18.7204
            8   N1b N    22.5511  -20.1004
            9   O1a O    24.9661  -24.2403
            10  C1b C    27.6564  -22.8603
            11  O1a O    22.5511  -22.8603
            12  C1y C    27.3804  -16.5814
            13  C1y C    27.3804  -17.9614
            14  C1y C    28.6224  -18.6514
            15  C1y C    29.7954  -17.9614
            16  C1y C    29.7954  -16.5814
            17  C1y C    28.6224  -15.8914
            18  O1a O    30.9684  -15.8914
            19  O2a O    25.8632  -15.8914
            20  O1a O    28.6224  -20.0314
            21  N1b N    28.6224  -14.5114
            22  O1a O    26.2075  -18.6514
            23  N1b N    30.9684  -18.6514
            24  C1y C    24.1381  -17.6165
            25  C1y C    24.5521  -16.3054
            26  O2x O    23.4482  -15.4774
            27  C1y C    22.3440  -16.3054
            28  C1z C    22.7581  -17.6165
            29  C1a C    21.0331  -15.8914
            30  C1b C    21.9302  -18.7204
            31  C2c C    29.7954  -13.8214
            32  N2a N    29.7954  -12.4415
            33  N1a N    30.9684  -14.5114
            34  C1a C    21.3781  -20.7903
            35  O1a O    28.8984  -22.1704
            36  C2c C    30.9684  -20.3757
            37  N1a N    29.7954  -21.0658
            38  N2a N    32.1413  -21.0658
            39  O1a O    20.5501  -18.5825
            40  O1a O    22.7581  -18.9963
BOND        42
            1     1   2 1
            2    13  22 1 #Up
            3     4  10 1 #Up
            4    15  23 1 #Up
            5     2   3 1
            6     2  11 1 #Up
            7     3   4 1
            8     4   5 1
            9     5   6 1
            10   24  25 1
            11   25  26 1
            12   26  27 1
            13   27  28 1
            14   28  24 1
            15   24   7 1 #Down
            16    6   1 1
            17   27  29 1 #Down
            18   28  30 1 #Up
            19   25  19 1 #Up
            20    6   7 1 #Down
            21   21  31 1
            22   12  13 1
            23   31  32 2
            24   13  14 1
            25   31  33 1
            26   14  15 1
            27    8  34 1
            28   15  16 1
            29   10  35 1
            30   16  17 1
            31   23  36 1
            32   17  12 1
            33   36  37 1
            34   36  38 2
            35   16  18 1 #Down
            36   30  39 1
            37    1   8 1 #Down
            38   28  40 1
            39   12  19 1 #Down
            40   14  20 1 #Down
            41    3   9 1 #Down
            42   17  21 1 #Up

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