NP-MRD: Showing NP-Card for ouabain (NP0303497)

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Record Information

Version

2.0

Created at

2022-09-10 17:53:07 UTC

Updated at

2022-09-10 17:53:08 UTC

NP-MRD ID

NP0303497

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ouabain

Description

Ouabain, also known as g-strophanthin or ouabain anhydrous, belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Ouabain is a drug which is used for the treatment of atrial fibrillation and flutter and heart failure. Ouabain is an extremely weak basic (essentially neutral) compound (based on its pKa). ouabain is found in Acokanthera oppositifolia, Acokanthera schimperi and Apis cerana. ouabain was first documented in 1991 (PMID: 1648735). Ouabain is a potentially toxic compound (PMID: 8033829) (PMID: 11929882) (PMID: 12763919) (PMID: 15009217).

Structure

MOL 3D MOL SDF PDB SMILES InChI

1092
  Mrv0541 02231215142D          

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M  END

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M  END

1092
  Mrv0541 02231215142D          

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    7.2128   -1.6056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9702    0.4969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6847    0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1798    0.7483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6979   -1.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1798   -0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -2.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4548   -0.2809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6612    0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4411   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2258    0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3991    1.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6659   -1.6116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4361    1.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9523    2.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2370   -1.6060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2226    2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209   -2.0158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8081   -1.6005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5273   -0.3658    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8112   -0.7755    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5304    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5418    0.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2588   -1.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  1  0  0  0
 18  2  1  1  0  0  0
 19  3  1  6  0  0  0
 25  4  1  1  0  0  0
  5 28  1  0  0  0  0
 31  6  1  1  0  0  0
 35  6  1  1  0  0  0
  7 33  1  0  0  0  0
  7 36  1  0  0  0  0
  8 35  1  0  0  0  0
  8 39  1  0  0  0  0
  9 36  2  0  0  0  0
 37 10  1  6  0  0  0
 38 11  1  6  0  0  0
 40 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 42  1  6  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 43  1  1  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 29  1  1  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 17 28  1  1  0  0  0
 18 24  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 21 26  1  0  0  0  0
 21 32  1  1  0  0  0
 22 24  1  0  0  0  0
 23 26  1  0  0  0  0
 25 30  1  0  0  0  0
 27 31  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 40  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0303497

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

> <INCHI_KEY>
LPMXVESGRSUGHW-HBYQJFLCSA-N

> <FORMULA>
C29H44O12

> <MOLECULAR_WEIGHT>
584.6525

> <EXACT_MASS>
584.283276872

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
59.92556829434825

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
-1.03

> <JCHEM_LOGP>
-2.7818058896666673

> <ALOGPS_LOGS>
-2.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.210394291601636

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.181446894362235

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8503841755458543

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
140.83379999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ouabain

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1092                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      17.545  -2.152   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      13.452  -4.537   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      13.544   1.698   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      11.082   0.674   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      12.160   0.927   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       9.240  -3.773   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      19.485   5.352   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       7.915  -1.458   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      22.196   5.777   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.566  -5.303   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.905  -3.753   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       3.917  -0.673   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      14.878  -0.612   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.211  -1.382   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.545  -0.612   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.545   0.928   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.476  -1.393   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.464  -2.997   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.878   0.928   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      16.211   1.698   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.002   1.397   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.236  -2.986   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      19.002  -1.082   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      14.853  -3.799   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.049  -0.524   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.901   0.158   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.023  -3.844   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.488   0.147   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      17.545   2.468   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.589  -1.337   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.576  -3.008   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      19.481   2.860   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.578   4.108   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      20.946   3.334   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.909  -2.998   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      20.949   4.874   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.572  -3.763   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.242  -2.988   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.584  -0.683   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.248  -1.448   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.590   0.857   0.000  0.00  0.00           C+0
HETATM   42  H   UNK     0      15.945   0.004   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      17.283  -1.990   0.000  0.00  0.00           H+0
CONECT    1   15                                                            
CONECT    2   18                                                            
CONECT    3   19                                                            
CONECT    4   25                                                            
CONECT    5   28                                                            
CONECT    6   31   35                                                       
CONECT    7   33   36                                                       
CONECT    8   35   39                                                       
CONECT    9   36                                                            
CONECT   10   37                                                            
CONECT   11   38                                                            
CONECT   12   40                                                            
CONECT   13   14   17   19   42                                             
CONECT   14   13   15   22   43                                             
CONECT   15    1   14   16   23                                             
CONECT   16   15   20   21   29                                             
CONECT   17   13   18   25   28                                             
CONECT   18    2   17   24   27                                             
CONECT   19    3   13   20                                                  
CONECT   20   16   19                                                       
CONECT   21   16   26   32                                                  
CONECT   22   14   24                                                       
CONECT   23   15   26                                                       
CONECT   24   18   22                                                       
CONECT   25    4   17   30                                                  
CONECT   26   21   23                                                       
CONECT   27   18   31                                                       
CONECT   28    5   17                                                       
CONECT   29   16                                                            
CONECT   30   25   31                                                       
CONECT   31    6   27   30                                                  
CONECT   32   21   33   34                                                  
CONECT   33    7   32                                                       
CONECT   34   32   36                                                       
CONECT   35    6    8   37                                                  
CONECT   36    7    9   34                                                  
CONECT   37   10   35   38                                                  
CONECT   38   11   37   40                                                  
CONECT   39    8   40   41                                                  
CONECT   40   12   38   39                                                  
CONECT   41   39                                                            
CONECT   42   13                                                            
CONECT   43   14                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Value	Source
3-(alpha-L-Rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide	ChEBI
g-Strophanthin	ChEBI
Ouabagenin L-rhamnoside	ChEBI
Ouabagenin-L-rhamnosid	ChEBI
Ouabain anhydrous	ChEBI
Ouabaine	ChEBI
Oubain	ChEBI
Strodival	ChEBI
Ouabain octahydrate	Kegg
3-(a-L-Rhamnopyranosyloxy)-1b,5b,11a,14,19-pentahydroxy-5b-card-20(22)-enolide	Generator
3-(Α-L-rhamnopyranosyloxy)-1β,5β,11α,14,19-pentahydroxy-5β-card-20(22)-enolide	Generator
Ouabain octahydric acid	Generator
Ouabain, octahydrate	HMDB
Strophanthin g	HMDB
Strophanthin-g	HMDB
K, Acolongifloroside	HMDB
Acocantherin	HMDB
Acolongifloroside K	HMDB
g Strophanthin	HMDB

Chemical Formula

C₂₉H₄₄O₁₂

Average Mass

584.6525 Da

Monoisotopic Mass

584.28328 Da

IUPAC Name

4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one

Traditional Name

ouabain

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

InChI Key

LPMXVESGRSUGHW-HBYQJFLCSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Acokanthera oppositifolia	LOTUS Database	35616633
Acokanthera schimperi	LOTUS Database	35616633
Apis cerana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Not Available

Direct Parent

Naphthalenes

Alternative Parents

Substituents

Naphthalene
Phenylpropane
Phenylmethylamine
Benzylamine
Aralkylamine
Monocyclic benzene moiety
Tertiary aliphatic amine
Tertiary amine
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Amine
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

tertiary amine (CHEBI:3238 )
naphthalenes (CHEBI:3238 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1	ALOGPS
logP	-2.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	7.18	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	140.83 m³·mol⁻¹	ChemAxon
Polarizability	59.93 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0015224

DrugBank ID

DB01092

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003633

Chemspider ID

388599

KEGG Compound ID

C01443

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Ouabain

METLIN ID

Not Available

PubChem Compound

439501

PDB ID

OBN

ChEBI ID

472805

Good Scents ID

Not Available

References

General References

Hamlyn JM, Blaustein MP, Bova S, DuCharme DW, Harris DW, Mandel F, Mathews WR, Ludens JH: Identification and characterization of a ouabain-like compound from human plasma. Proc Natl Acad Sci U S A. 1991 Jul 15;88(14):6259-63. doi: 10.1073/pnas.88.14.6259. [PubMed:1648735 ]
Laredo J, Hamilton BP, Hamlyn JM: Ouabain is secreted by bovine adrenocortical cells. Endocrinology. 1994 Aug;135(2):794-7. doi: 10.1210/endo.135.2.8033829. [PubMed:8033829 ]
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LOTUS database [Link]

Showing NP-Card for ouabain (NP0303497)

MOL for NP0303497 (ouabain)

3D MOL for NP0303497 (ouabain)

3D SDF for NP0303497 (ouabain)

3D-SDF for NP0303497 (ouabain)

PDB for NP0303497 (ouabain)

3D PDB for NP0303497 (ouabain)

SMILES for NP0303497 (ouabain)

INCHI for NP0303497 (ouabain)

Structure for NP0303497 (ouabain)

3D Structure for NP0303497 (ouabain)