KEGG   DRUG: D07555Help
Entry
D07555                      Drug                                   

Name
Acetyldigoxin;
Cedigossima (TN)
Formula
C43H66O15
Exact mass
822.4402
Mol weight
822.9751
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiac glycoside
Remark
ATC code: 
Target
Na+,K+-ATPase inhibitor [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
  Pathway
hsa04260  Cardiac muscle contraction  
 
Interaction
Drug interaction
Structure map
Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AA Digitalis glycosides
     C01AA02 Acetyldigoxin
      D07555  Acetyldigoxin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Acetyldigoxin
     D07555  Acetyldigoxin
BRITE hierarchy
Other DBs
CAS: 
5511-98-8
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   O2a O    25.4100  -21.2800
            2   C1y C    26.6000  -20.5100
            3   C1x C    27.7900  -21.2100
            4   C1y C    28.9800  -20.5100
            5   C1z C    28.9800  -19.1100
            6   C1x C    27.7900  -18.4100
            7   C1x C    26.6000  -19.1100
            8   C1x C    30.2400  -21.2100
            9   C1x C    31.4300  -20.5100
            10  C1y C    31.4300  -19.1100
            11  C1y C    30.2400  -18.4100
            12  C1z C    32.6200  -18.4100
            13  C1z C    32.6200  -17.0100
            14  C1y C    31.4300  -16.3100
            15  C1x C    30.2400  -17.0100
            16  C1x C    33.9500  -18.8300
            17  C1x C    34.7900  -17.7100
            18  C1y C    33.9500  -16.5900
            19  C2y C    34.3700  -15.2600
            20  C2x C    35.8400  -15.2600
            21  C7x C    36.2600  -13.9300
            22  O7x O    35.1400  -13.0900
            23  C1x C    34.0200  -13.8600
            24  O6a O    37.5900  -13.5100
            25  C1a C    32.6200  -15.6100
            26  O1a O    32.6200  -19.8100
            27  C1a C    28.9800  -17.7100
            28  C1y C    24.1500  -20.6500
            29  O2x O    24.1500  -19.2500
            30  C1y C    22.8900  -18.5500
            31  C1y C    21.7000  -19.2500
            32  C1y C    21.7000  -20.6500
            33  C1x C    22.8900  -21.3500
            34  O2a O    20.5100  -18.5500
            35  C1y C    19.3200  -19.2500
            36  O2x O    19.3200  -20.6500
            37  O1a O    20.5100  -21.3500
            38  C1x C    18.0600  -18.5500
            39  C1y C    16.8700  -19.2500
            40  C1y C    16.8700  -20.6500
            41  C1y C    18.0600  -21.3500
            42  O1a O    15.6800  -18.5500
            43  O2x O    14.4200  -19.2500
            44  C1y C    14.4200  -20.6500
            45  O2a O    15.6800  -21.3500
            46  C1y C    13.2300  -18.5500
            47  C1y C    12.0400  -19.2500
            48  C1y C    12.0400  -20.6500
            49  C1x C    13.2300  -21.3500
            50  O1a O    10.7800  -18.5500
            51  O7a O    10.7800  -21.3500
            52  C1a C    22.8900  -17.1500
            53  C1a C    18.0600  -22.7500
            54  C1a C    13.2300  -17.1500
            55  O1a O    31.4300  -14.9100
            56  C7a C     9.5793  -20.6301
            57  C1a C     8.3554  -21.3100
            58  O6a O     9.6022  -19.6701
BOND        65
            1     2   1 1 #Up
            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     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    5  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 1
            18   12  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22   18  19 1 #Up
            23   19  20 2
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   19  23 1
            28   21  24 2
            29   13  25 1 #Up
            30   12  26 1 #Up
            31    5  27 1 #Up
            32   28   1 1 #Up
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   28  33 1
            39   31  34 1 #Down
            40   35  34 1 #Down
            41   35  36 1
            42   32  37 1 #Down
            43   35  38 1
            44   38  39 1
            45   39  40 1
            46   40  41 1
            47   36  41 1
            48   39  42 1 #Up
            49   43  44 1
            50   44  45 1 #Up
            51   40  45 1 #Up
            52   43  46 1
            53   46  47 1
            54   47  48 1
            55   48  49 1
            56   44  49 1
            57   47  50 1 #Down
            58   48  51 1 #Down
            59   30  52 1 #Up
            60   41  53 1 #Down
            61   46  54 1 #Up
            62   14  55 1 #Up
            63   51  56 1
            64   56  57 1
            65   56  58 2

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