NP-MRD: Showing NP-Card for Tomatine (NP0047853)

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Record Information

Version

2.0

Created at

2022-03-17 20:47:01 UTC

Updated at

2022-03-17 20:47:02 UTC

NP-MRD ID

NP0047853

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Tomatine

Description

Tomatine, also known as a''-tomatidine or alpha -tomatine, belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Tomatine is a very strong basic compound (based on its pKa). Outside of the human body, tomatine is found, on average, in the highest concentration in garden tomato (var.). Tomatine has also been detected, but not quantified in, garden tomato and potato. This could make tomatine a potential biomarker for the consumption of these foods. Tomatine is found in Apis cerana, Solanum acaule, Solanum demissum, Solanum dulcamara, Solanum etuberosum, Solanum kieseritzkii, Solanum lycopersicoides, Solanum peruvianum, Solanum peruvianum var.chutatum., Solanum putatu and Solanum spp.. Tomatine was first documented in 1971 (PMID: 4362143). It is possible that the increased heart rate comes from alteration of the electric properties of heart cell membranes by positively charged tomatine ions, because of participation in acid-base equilibriums (PMID: 19514731) (PMID: 18835993) (PMID: 10942315) (PMID: 15193398).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061307342D          

 72 81  0  0  0  0            999 V2000
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    5.4270    0.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05061307342D          

 72 81  0  0  0  0            999 V2000
    2.5224   -0.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4270    0.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2004   -0.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 45 40  1  0  0  0  0
 46 39  1  0  0  0  0
 47 43  1  0  0  0  0
 48  3  1  0  0  0  0
 48 10  1  0  0  0  0
 48 22  1  0  0  0  0
 48 25  1  0  0  0  0
 49  4  1  0  0  0  0
 49 11  1  0  0  0  0
 49 26  1  0  0  0  0
 49 32  1  0  0  0  0
 50 12  1  0  0  0  0
 50 21  1  0  0  0  0
 51 15  1  0  0  0  0
 51 50  1  0  0  0  0
 52 16  1  0  0  0  0
 53 17  1  0  0  0  0
 54 18  1  0  0  0  0
 55 27  1  0  0  0  0
 56 33  1  0  0  0  0
 57 34  1  0  0  0  0
 58 35  1  0  0  0  0
 59 36  1  0  0  0  0
 60 37  1  0  0  0  0
 61 38  1  0  0  0  0
 62 39  1  0  0  0  0
 63 40  1  0  0  0  0
 64 19  1  0  0  0  0
 64 44  1  0  0  0  0
 65 23  1  0  0  0  0
 65 45  1  0  0  0  0
 66 29  1  0  0  0  0
 66 46  1  0  0  0  0
 67 30  1  0  0  0  0
 67 47  1  0  0  0  0
 68 31  1  0  0  0  0
 68 45  1  0  0  0  0
 69 41  1  0  0  0  0
 69 47  1  0  0  0  0
 70 42  1  0  0  0  0
 70 44  1  0  0  0  0
 71 43  1  0  0  0  0
 71 46  1  0  0  0  0
 72 28  1  0  0  0  0
 72 50  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0047853

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1

> <INCHI_IDENTIFIER>
InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3

> <INCHI_KEY>
REJLGAUYTKNVJM-UHFFFAOYSA-N

> <FORMULA>
C50H83NO21

> <MOLECULAR_WEIGHT>
1034.1881

> <EXACT_MASS>
1033.545758723

> <JCHEM_ACCEPTOR_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
110.87006564079888

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
13

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]oxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.14

> <JCHEM_LOGP>
-1.4375506119999977

> <ALOGPS_LOGS>
-2.78

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.226082035134647

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.779281985325843

> <JCHEM_PKA_STRONGEST_BASIC>
9.539133055650797

> <JCHEM_POLAR_SURFACE_AREA>
337.86000000000007

> <JCHEM_REFRACTIVITY>
244.78750000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]oxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.708  -1.652   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.130   0.204   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.174  -0.685   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.422  -0.497   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.710  -4.724   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.173  -4.635   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.772  -3.342   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      20.249  -0.864   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.637  -0.596   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.711  -0.775   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.099  -0.506   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.291  -3.592   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.094  -3.527   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.849  -4.252   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.204  -0.710   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      27.865  10.716   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      30.319  -0.115   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.787   2.996   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      34.395   3.656   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.228  -1.901   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.363  -1.318   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      18.556  -3.438   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      20.940  -2.241   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.482  -3.259   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.328  -1.972   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.944  -3.169   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      35.242   4.943   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.481  -3.545   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      28.556   9.339   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      29.628   1.261   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      23.479   1.620   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.731  -2.025   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      34.550   6.319   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      30.093   9.250   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      30.474   2.548   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      30.784   7.874   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      25.707   0.154   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      33.013   6.408   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      29.938   6.587   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      24.861  -1.133   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      25.016   1.530   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      29.783   3.924   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      28.246   4.014   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      32.167   5.122   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      23.324  -1.043   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      28.401   6.677   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      27.400   2.727   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      17.865  -2.062   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      13.253  -1.793   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       9.267  -2.401   0.000  0.00  0.00           C+0
HETATM   51  N   UNK     0       8.724  -0.960   0.000  0.00  0.00           N+0
HETATM   52  O   UNK     0      26.327  10.805   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      31.857  -0.204   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      21.250   3.085   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0      36.779   4.853   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0      35.397   7.605   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      30.939  10.537   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      32.012   2.459   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      32.322   7.784   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      27.245   0.064   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      33.263   7.928   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      31.306   5.880   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      25.552  -2.509   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      32.858   3.745   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      22.477  -2.330   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      27.710   8.053   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      28.091   1.351   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0      22.632   0.333   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0      25.862   2.817   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      30.629   5.211   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      27.555   5.390   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0       9.958  -3.777   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3   48                                                            
CONECT    4   49                                                            
CONECT    5    6   22                                                       
CONECT    6    5   24                                                       
CONECT    7   12   20                                                       
CONECT    8   10   23                                                       
CONECT    9   11   25                                                       
CONECT   10    8   48                                                       
CONECT   11    9   49                                                       
CONECT   12    7   50                                                       
CONECT   13   22   23                                                       
CONECT   14   26   28                                                       
CONECT   15   20   51                                                       
CONECT   16   29   52                                                       
CONECT   17   30   53                                                       
CONECT   18   31   54                                                       
CONECT   19   27   64                                                       
CONECT   20    1    7   15                                                  
CONECT   21    2   32   50                                                  
CONECT   22    5   13   48                                                  
CONECT   23    8   13   65                                                  
CONECT   24    6   25   26                                                  
CONECT   25    9   24   48                                                  
CONECT   26   14   24   49                                                  
CONECT   27   19   33   55                                                  
CONECT   28   14   32   72                                                  
CONECT   29   16   34   66                                                  
CONECT   30   17   35   67                                                  
CONECT   31   18   41   68                                                  
CONECT   32   21   28   49                                                  
CONECT   33   27   38   56                                                  
CONECT   34   29   36   57                                                  
CONECT   35   30   42   58                                                  
CONECT   36   34   39   59                                                  
CONECT   37   40   41   60                                                  
CONECT   38   33   44   61                                                  
CONECT   39   36   46   62                                                  
CONECT   40   37   45   63                                                  
CONECT   41   31   37   69                                                  
CONECT   42   35   43   70                                                  
CONECT   43   42   47   71                                                  
CONECT   44   38   64   70                                                  
CONECT   45   40   65   68                                                  
CONECT   46   39   66   71                                                  
CONECT   47   43   67   69                                                  
CONECT   48    3   10   22   25                                             
CONECT   49    4   11   26   32                                             
CONECT   50   12   21   51   72                                             
CONECT   51   15   50                                                       
CONECT   52   16                                                            
CONECT   53   17                                                            
CONECT   54   18                                                            
CONECT   55   27                                                            
CONECT   56   33                                                            
CONECT   57   34                                                            
CONECT   58   35                                                            
CONECT   59   36                                                            
CONECT   60   37                                                            
CONECT   61   38                                                            
CONECT   62   39                                                            
CONECT   63   40                                                            
CONECT   64   19   44                                                       
CONECT   65   23   45                                                       
CONECT   66   29   46                                                       
CONECT   67   30   47                                                       
CONECT   68   31   45                                                       
CONECT   69   41   47                                                       
CONECT   70   42   44                                                       
CONECT   71   43   46                                                       
CONECT   72   28   50                                                       
MASTER        0    0    0    0    0    0    0    0   72    0  162    0
END

View in JSmol

Synonyms

Value	Source
A''-tomatidine	HMDB
a-Tomatine	HMDB
alpha -Tomatine	HMDB
alpha-Tomatine	HMDB
Lycopersicin	HMDB
Tomatidine, glycoside	HMDB
Tomatin	HMDB
Tomatine	MeSH

Chemical Formula

C₅₀H₈₃NO₂₁

Average Mass

1034.1881 Da

Monoisotopic Mass

1033.54576 Da

IUPAC Name

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]oxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

CAS Registry Number

17406-45-0

SMILES

CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1

InChI Identifier

InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3

InChI Key

REJLGAUYTKNVJM-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Apis cerana	LOTUS Database	35616633
Solanum acaule	LOTUS Database	35616633
Solanum demissum	LOTUS Database	35616633
Solanum dulcamara	LOTUS Database	35616633
Solanum etuberosum	LOTUS Database	35616633
Solanum kieseritzkii	LOTUS Database	35616633
Solanum lycopersicoides	LOTUS Database	35616633
Solanum lycopersicum	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
Solanum lycopersicum var. cerasiforme	FooDB	PHYTOHUB
Solanum lycopersicum var. lycopersicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum peruvianum	Plant	KNApSAcK
Solanum peruvianum var.chutatum.	Plant	KNApSAcK
Solanum putatu	Plant	KNApSAcK
Solanum spp.	Plant	KNApSAcK
Solanum tuberosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal saponins

Alternative Parents

Substituents

Steroidal saponin
Diterpene glycoside
Spirosolane skeleton
Oligosaccharide
Diterpenoid
Steroidal alkaloid
Azasteroid
Terpene glycoside
Glycosyl compound
O-glycosyl compound
Azaspirodecane
Alkaloid or derivatives
Oxane
Piperidine
Tetrahydrofuran
Secondary alcohol
Hemiaminal
Polyol
Secondary amine
Acetal
Secondary aliphatic amine
Oxacycle
Organoheterocyclic compound
Azacycle
Primary alcohol
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organooxygen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	-0.14	ALOGPS
logP	-1.4	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	11.78	ChemAxon
pKa (Strongest Basic)	9.54	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	22	ChemAxon
Hydrogen Donor Count	13	ChemAxon
Polar Surface Area	337.86 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	244.79 m³·mol⁻¹	ChemAxon
Polarizability	110.87 Å³	ChemAxon
Number of Rings	10	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0034103

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tomatine

METLIN ID

Not Available

PubChem Compound

5513

PDB ID

Not Available

ChEBI ID

9630

Good Scents ID

Not Available

References

General References

Friedman M, Levin CE, Lee SU, Kim HJ, Lee IS, Byun JO, Kozukue N: Tomatine-containing green tomato extracts inhibit growth of human breast, colon, liver, and stomach cancer cells. J Agric Food Chem. 2009 Jul 8;57(13):5727-33. doi: 10.1021/jf900364j. [PubMed:19514731 ]
Seipke RF, Loria R: Streptomyces scabies 87-22 possesses a functional tomatinase. J Bacteriol. 2008 Dec;190(23):7684-92. doi: 10.1128/JB.01010-08. Epub 2008 Oct 3. [PubMed:18835993 ]
Cayen MN: Effect of dietary tomatine on cholesterol metabolism in the rat. J Lipid Res. 1971 Jul;12(4):482-90. [PubMed:4362143 ]
Friedman M, Fitch TE, Yokoyama WE: Lowering of plasma LDL cholesterol in hamsters by the tomato glycoalkaloid tomatine. Food Chem Toxicol. 2000 Jul;38(7):549-53. doi: 10.1016/s0278-6915(00)00050-8. [PubMed:10942315 ]
Morrow WJ, Yang YW, Sheikh NA: Immunobiology of the Tomatine adjuvant. Vaccine. 2004 Jun 23;22(19):2380-4. doi: 10.1016/j.vaccine.2004.03.022. [PubMed:15193398 ]

Showing NP-Card for Tomatine (NP0047853)

MOL for NP0047853 (Tomatine)

3D MOL for NP0047853 (Tomatine)

3D SDF for NP0047853 (Tomatine)

3D-SDF for NP0047853 (Tomatine)

PDB for NP0047853 (Tomatine)

3D PDB for NP0047853 (Tomatine)

SMILES for NP0047853 (Tomatine)

INCHI for NP0047853 (Tomatine)

Structure for NP0047853 (Tomatine)

3D Structure for NP0047853 (Tomatine)