KEGG   COMPOUND: C01443Help
Entry
C01443                      Compound                               

Name
Ouabain;
G-Strophanthin
Formula
C29H44O12
Exact mass
584.2833
Mol weight
584.6525
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
Bile secretion
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  23-Carbon atoms
   Cardanolide and derivatives
    C01443  Ouabain
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0112 Cardanolides and derivatives
    C01443  Ouabain
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cardanolide
    C01443  Ouabain
Natural toxins [BR:br08009]
 Phytotoxins
  Glycosides
   Cardiac glycosides
    C01443  Ouabain
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AC Strophantus glycosides
     C01AC01 G-strophanthin
      D00112  G-Strophanthin (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    G-strophanthin
     D00112  G-Strophanthin (JAN)
Phytochemicals used as drugs [BR:br08306]
 Terpenoids
  Triterpenoids (C30) and related compounds
   D00112  G-Strophanthin (JAN)
BRITE hierarchy
Other DBs
CAS: 
630-60-4
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        41
            1   C1x C    22.9600  -20.1600
            2   C1y C    22.9600  -21.5600
            3   C1x C    24.1500  -22.2600
            4   C1z C    25.4100  -21.5600
            5   C1z C    25.4100  -20.1600
            6   C1y C    24.1500  -19.4600
            7   C1x C    26.5300  -22.2600
            8   C1x C    27.7200  -21.5600
            9   C1y C    27.7200  -20.1600
            10  C1y C    26.5300  -19.4600
            11  C1z C    28.9800  -19.4600
            12  C1z C    28.9800  -18.0600
            13  C1x C    27.7200  -17.4300
            14  C1y C    26.5300  -18.0600
            15  O2a O    21.7700  -22.2600
            16  O1a O    25.4100  -22.9600
            17  O1a O    24.1500  -18.0600
            18  O1a O    28.9800  -20.8600
            19  C1a C    28.9800  -16.7300
            20  O1a O    25.4100  -17.4300
            21  C1b C    25.4100  -18.5500
            22  C1y C    20.5800  -21.5600
            23  O2x O    20.5800  -20.1600
            24  C1y C    19.3900  -19.4600
            25  C1y C    18.2000  -20.1600
            26  C1y C    18.2000  -21.5600
            27  C1y C    19.3900  -22.2600
            28  O1a O    17.0100  -19.4600
            29  O1a O    17.0100  -22.2600
            30  O1a O    19.3900  -23.5900
            31  C1a C    19.3900  -18.0600
            32  O1a O    24.2200  -16.9400
            33  C1x C    31.4300  -19.4600
            34  C1x C    31.4300  -18.0600
            35  C1y C    30.1700  -17.3600
            36  C2y C    30.1700  -15.9600
            37  C2x C    31.4981  -15.9506
            38  C7x C    31.9531  -14.5528
            39  O7x O    30.8850  -13.7634
            40  C1x C    29.7179  -14.6350
            41  O6a O    33.2564  -14.1672
BOND        46
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 1 #Up
            18    4  16 1 #Up
            19    6  17 1 #Up
            20   11  18 1 #Up
            21   12  19 1 #Up
            22   14  20 1 #Down
            23    5  21 1 #Up
            24   22  15 1 #Up
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   25  28 1 #Up
            32   26  29 1 #Down
            33   27  30 1 #Down
            34   24  31 1 #Down
            35   21  32 1
            36   11  33 1
            37   33  34 1
            38   34  35 1
            39   12  35 1
            40   36  37 2
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   36  40 1
            45   38  41 2
            46   35  36 1

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