KEGG   DRUG: DoramectinHelp
Entry
D01129                      Drug                                   

Name
Doramectin (JAN/USAN/INN)
Formula
C50H74O14
Exact mass
898.5079
Mol weight
899.1142
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antiparasitic (veterinary)
Comment
Avermectin derivative
veterinary medicine
Brite
Animal drugs in Japan [BR:br08331]
 97  Agents against pathogenic micro-organisms and parasites (except biological products and disinfectants)
  975  Anthelmintics for digestive organs
   9759  Other anthelmintics for digestive organs
    D01129  Doramectin
BRITE hierarchy
Other DBs
CAS: 117704-25-3
PubChem: 7848192
ChEBI: 31516
ChEMBL: CHEMBL2106417 CHEMBL2361641
LigandBox: D01129
NIKKAJI: J561.838J
LinkDB All DBs
KCF data Show

ATOM        64
            1   C1z C    36.4207  -14.1306
            2   C1x C    36.4207  -15.5237
            3   O2x O    35.2377  -13.4437
            4   O2x O    37.6153  -14.8301
            5   C2x C    36.4207  -12.7571
            6   C1y C    35.2121  -16.2105
            7   C1y C    34.0293  -14.1247
            8   C1y C    38.8809  -14.1434
            9   C2x C    37.6153  -12.0702
            10  C1x C    34.0165  -15.4981
            11  O7x O    35.1924  -17.5841
            12  C1x C    32.8333  -13.4251
            13  C1y C    38.8237  -12.7571
            14  C1y C    40.0194  -14.8301
            15  C7x C    33.9839  -18.2523
            16  C2x C    31.6249  -14.1119
            17  C1a C    40.0194  -12.0702
            18  C1x C    41.2153  -14.1434
            19  C1x C    40.0194  -16.2233
            20  C1y C    33.9839  -19.6258
            21  C2y C    30.4292  -13.4251
            22  C1z C    32.8207  -20.2999
            23  C2x C    35.1669  -20.3126
            24  C1y C    29.2335  -14.1119
            25  C1a C    30.4292  -12.0319
            26  C1y C    32.8207  -21.6804
            27  C2y C    31.6249  -19.6001
            28  O1a O    32.8079  -18.9008
            29  C2y C    35.1669  -21.6804
            30  O2a O    28.0319  -13.4251
            31  C1y C    29.2335  -15.4981
            32  O2x O    30.4164  -21.6804
            33  C1y C    33.9839  -22.3543
            34  C1x C    30.4164  -20.2999
            35  C2x C    31.6249  -18.2523
            36  C1a C    36.3753  -22.3671
            37  C1y C    26.3894  -14.0395
            38  C2x C    30.4292  -16.1850
            39  C1a C    28.0319  -16.1978
            40  O1a O    33.9780  -23.7406
            41  C2x C    30.4292  -17.5585
            42  C1x C    25.1711  -13.3904
            43  O2x O    26.3747  -15.4235
            44  C1y C    23.9915  -14.1167
            45  C1y C    25.2530  -16.1726
            46  C1y C    24.0347  -15.5236
            47  O2a O    22.7681  -13.4649
            48  C1a C    25.3082  -17.5568
            49  O2a O    22.8551  -16.2500
            50  C1y C    22.8860  -17.5487
            51  C1x C    21.6831  -18.2793
            52  O2x O    24.1209  -18.2845
            53  C1y C    21.7309  -19.6622
            54  C1y C    24.1172  -19.6030
            55  C1y C    22.9373  -20.3308
            56  O2a O    20.5445  -20.3789
            57  C1a C    25.3269  -20.2526
            58  O1a O    22.9724  -21.6925
            59  C1a C    19.3523  -19.6638
            60  C1x C    41.2255  -16.9130
            61  C1x C    42.4248  -16.2233
            62  C1x C    42.4248  -14.8301
            63  O6a O    33.2204  -17.0644
            64  C1a C    21.5787  -14.2068
BOND        71
            1     1   4 1 #Down
            2     1   5 1 #Up
            3     2   6 1
            4     3   7 1
            5     4   8 1
            6     5   9 2
            7     6  10 1
            8     6  11 1 #Up
            9     7  12 1
            10    8  13 1
            11    8  14 1 #Up
            12   11  15 1
            13   12  16 1
            14   13  17 1 #Down
            15   14  18 1
            16   14  19 1
            17   20  15 1 #Down
            18   16  21 2
            19   18  62 1
            20   20  22 1
            21   20  23 1
            22   21  24 1
            23   21  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Down
            27   23  29 2
            28   24  30 1 #Down
            29   24  31 1
            30   26  32 1
            31   26  33 1
            32   27  34 1
            33   27  35 2
            34   29  36 1
            35   37  30 1 #Down
            36   31  38 1
            37   31  39 1 #Down
            38   33  40 1 #Up
            39   35  41 1
            40   37  42 1
            41   37  43 1
            42   42  44 1
            43   43  45 1
            44   44  46 1
            45   44  47 1 #Up
            46   45  48 1 #Up
            47   46  49 1 #Down
            48   50  49 1 #Down
            49   50  51 1
            50   50  52 1
            51   51  53 1
            52   52  54 1
            53   53  55 1
            54   53  56 1
            55   54  57 1 #Up
            56   55  58 1 #Down
            57   56  59 1
            58    7  10 1
            59    9  13 1
            60   29  33 1
            61   32  34 1
            62   38  41 2
            63   45  46 1
            64   54  55 1
            65   19  60 1
            66    1   2 1
            67   60  61 1
            68    1   3 1
            69   61  62 1
            70   15  63 2
            71   47  64 1

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