NP-MRD: Showing NP-Card for Phyllocactin II (NP0073922)

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Record Information

Version

2.0

Created at

2022-04-28 19:08:02 UTC

Updated at

2022-04-28 19:08:03 UTC

NP-MRD ID

NP0073922

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Phyllocactin II

Description

(2S)-4-[(E)-2-[(2S)-2-carboxy-5-{[(2S,3R,4R,5S,6R)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. Phyllocactin II is found in Hylocereus ocamponis, Hylocereus purpusii and Hylocereus undatus . Based on a literature review very few articles have been published on (2S)-4-[(E)-2-[(2S)-2-carboxy-5-{[(2S,3R,4R,5S,6R)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282221082D          

 45 48  0  0  1  0            999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 44  1  1  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652304282221082D          

 45 48  0  0  1  0            999 V2000
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    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3523    3.5854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3523    4.4104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0668    4.8229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7812    4.4104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7812    3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    4.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    5.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    5.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    6.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    8.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    6.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  6  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  8 24  1  6  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  2 27  1  0  0  0  0
  1 28  1  0  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
 33 35  1  1  0  0  0
 35 36  1  0  0  0  0
 32 37  1  6  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 31 44  1  1  0  0  0
 30 45  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0073922

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](OC2=C(O)C=C3N(\C=C\C4=CC(=N[C@@H](C4)C(O)=O)C(O)=O)[C@@H](CC3=C2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28N2O16/c30-9-18-23(45-20(34)8-19(32)33)21(35)22(36)27(44-18)43-17-6-11-5-15(26(41)42)29(14(11)7-16(17)31)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40/h1-3,6-7,13,15,18,21-23,27,30-31,35-36H,4-5,8-9H2,(H,32,33)(H,37,38)(H,39,40)(H,41,42)/b2-1+/t13-,15-,18+,21+,22+,23+,27+/m0/s1

> <INCHI_KEY>
IKFMLZRWSCLOMP-JUFXGHKBSA-N

> <FORMULA>
C27H28N2O16

> <MOLECULAR_WEIGHT>
636.519

> <EXACT_MASS>
636.14388283

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
60.20830417159758

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-4-[(E)-2-[(2S)-2-carboxy-5-{[(2S,3R,4R,5S,6R)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

> <ALOGPS_LOGP>
-0.18

> <JCHEM_LOGP>
-1.1551140168748533

> <ALOGPS_LOGS>
-3.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.3104997269395797

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.2234441269096235

> <JCHEM_PKA_STRONGEST_BASIC>
2.863184986466342

> <JCHEM_POLAR_SURFACE_AREA>
290.47999999999996

> <JCHEM_REFRACTIVITY>
143.23439999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.97e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-4-[(E)-2-[(2S)-2-carboxy-5-{[(2S,3R,4R,5S,6R)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       2.126   1.597   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       1.650   0.132   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.143  -0.188   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.333  -1.652   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.698  -2.797   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.222  -4.262   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      -1.284  -4.582   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -2.315  -3.437   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.839  -1.973   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.821  -3.757   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.297  -5.222   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.852  -2.613   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.253  -5.406   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.777  -6.871   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.759  -5.086   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.320   2.843   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.090   1.509   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -1.090   4.177   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       7.591   1.303   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       7.591   4.383   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.591   5.923   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.258   6.693   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.258   8.233   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.591   9.003   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.925   8.233   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.925   6.693   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      10.259   9.003   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      11.592   8.233   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       7.591  10.543   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       8.925  11.313   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      10.259  10.543   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       8.925  12.853   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.259  13.623   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      10.259  15.163   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      11.592  12.853   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.924   9.003   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       4.924   5.923   0.000  0.00  0.00           O+0
CONECT    1    2    6   28                                                  
CONECT    2    1    3   27                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8    4   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16   12                                                       
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   14   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24    8   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27    2                                                            
CONECT   28    1   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31   45                                                  
CONECT   31   30   32   44                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33   29                                                       
CONECT   35   33   36                                                       
CONECT   36   35                                                            
CONECT   37   32   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   31                                                            
CONECT   45   30                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Value	Source
(2S)-4-[(e)-2-[(2S)-2-Carboxy-5-{[(2S,3R,4R,5S,6R)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylate	Generator

Chemical Formula

C₂₇H₂₈N₂O₁₆

Average Mass

636.5190 Da

Monoisotopic Mass

636.14388 Da

IUPAC Name

Traditional Name

(2S)-4-[(E)-2-[(2S)-2-carboxy-5-{[(2S,3R,4R,5S,6R)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](OC2=C(O)C=C3N(\C=C\C4=CC(=N[C@@H](C4)C(O)=O)C(O)=O)[C@@H](CC3=C2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)CC(O)=O

InChI Identifier

InChI=1S/C27H28N2O16/c30-9-18-23(45-20(34)8-19(32)33)21(35)22(36)27(44-18)43-17-6-11-5-15(26(41)42)29(14(11)7-16(17)31)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40/h1-3,6-7,13,15,18,21-23,27,30-31,35-36H,4-5,8-9H2,(H,32,33)(H,37,38)(H,39,40)(H,41,42)/b2-1+/t13-,15-,18+,21+,22+,23+,27+/m0/s1

InChI Key

IKFMLZRWSCLOMP-JUFXGHKBSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Hylocereus ocamponis	Plant	KNApSAcK
Hylocereus purpusii	Plant	KNApSAcK
Hylocereus undatus	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Pentacarboxylic acids and derivatives

Direct Parent

Pentacarboxylic acids and derivatives

Alternative Parents

Substituents

Pentacarboxylic acid or derivatives
Phenolic glycoside
Indolecarboxylic acid derivative
Indolecarboxylic acid
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
L-alpha-amino acid
Alpha-amino acid or derivatives
Alpha-amino acid
Indole or derivatives
Dihydropyridinecarboxylic acid derivative
Tertiary aliphatic/aromatic amine
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Dihydropyridine
Benzenoid
1,3-dicarbonyl compound
Oxane
Monosaccharide
Hydropyridine
Amino acid
Tertiary amine
Secondary alcohol
Ketimine
Carboxylic acid ester
Amino acid or derivatives
Allylamine
Oxacycle
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Enamine
Carboxylic acid
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Imine
Carbonyl group
Amine
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	-0.18	ALOGPS
logP	-1.2	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	2.22	ChemAxon
pKa (Strongest Basic)	2.86	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	290.48 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	143.23 m³·mol⁻¹	ChemAxon
Polarizability	60.21 Å³	ChemAxon
Number of Rings	4	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162821393

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Phyllocactin II (NP0073922)

MOL for NP0073922 (Phyllocactin II)

3D MOL for NP0073922 (Phyllocactin II)

3D SDF for NP0073922 (Phyllocactin II)

3D-SDF for NP0073922 (Phyllocactin II)

PDB for NP0073922 (Phyllocactin II)

3D PDB for NP0073922 (Phyllocactin II)

SMILES for NP0073922 (Phyllocactin II)

INCHI for NP0073922 (Phyllocactin II)

Structure for NP0073922 (Phyllocactin II)

3D Structure for NP0073922 (Phyllocactin II)