NP-MRD: Showing NP-Card for (S)-(+)-Chelonin B (NP0068914)

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Record Information

Version

2.0

Created at

2022-04-28 14:11:14 UTC

Updated at

2022-04-28 14:11:14 UTC

NP-MRD ID

NP0068914

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(S)-(+)-Chelonin B

Description

(+)-Chelonin B belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the 3-position by an ethanamine. (S)-(+)-Chelonin B is found in Chelonaplysilla sp. Based on a literature review very few articles have been published on (+)-Chelonin B.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 47  0  0  0  0  0  0  0  0999 V2000
    7.6442    1.6176   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9420    1.0513    0.7927 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6676    0.4980    0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1121    0.5180   -0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594   -0.0179   -0.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278   -0.5880    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.1723   -0.0082 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7798   -1.8074   -1.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7564   -0.0995    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950   -0.4812    0.0601 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.8039   -1.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5611   -1.2506   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2975   -0.1490   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790    1.0884    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9158    1.7666    0.5643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9994    0.9857    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2947    1.2695    0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2292    0.2826    0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9112   -0.9318    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6037   -1.1595   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6534   -0.2040   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7174   -0.5918    1.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9788   -0.0549    1.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7289   -0.0902    3.4123 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.8669    0.8063   -1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6122    2.0211    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0708    2.3910   -0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.9477   -1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -0.0150   -1.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6002   -1.9574    0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563   -1.1712   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797    0.2539    1.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    0.8164   -0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -0.6871    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5874   -1.5830   -1.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1748    0.0688   -1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5394   -2.1068   -0.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880   -1.5458   -2.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810    1.4844   -0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445    2.7294    0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5440    2.2143    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2512    0.4599    1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6938   -1.6702   -0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3361   -2.0988   -0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1704   -1.0334    2.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 22  1  0
 22 23  2  0
 23 24  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 23  3  1  0
 21 13  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  5 29  1  0
 22 45  1  0
  7 30  1  1
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 11 36  1  0
 12 37  1  0
 12 38  1  0
 14 39  1  0
 15 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
M  END


  Mrv1652304282216112D          

 24 26  0  0  1  0            999 V2000
   -2.7481    2.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    3.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891    3.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342    2.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932    2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2737    1.2531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4667    1.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3340    2.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7629    2.6576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4774    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918    2.6576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9063    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208    2.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9063    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208    0.1826    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    1.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918    3.4826    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  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0068914

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1Br)[C@H](O)CNCCC1=CNC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C19H21BrN2O2/c1-24-19-7-6-13(10-16(19)20)18(23)12-21-9-8-14-11-22-17-5-3-2-4-15(14)17/h2-7,10-11,18,21-23H,8-9,12H2,1H3/t18-/m1/s1

> <INCHI_KEY>
WVUGPBDGSNGOCB-GOSISDBHSA-N

> <FORMULA>
C19H21BrN2O2

> <MOLECULAR_WEIGHT>
389.293

> <EXACT_MASS>
388.078641

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
38.70436086751103

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S)-1-(3-bromo-4-methoxyphenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}ethan-1-ol

> <ALOGPS_LOGP>
3.25

> <JCHEM_LOGP>
3.624237378666667

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.168034668891078

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.061636281555863

> <JCHEM_PKA_STRONGEST_BASIC>
9.742818820974795

> <JCHEM_POLAR_SURFACE_AREA>
57.28

> <JCHEM_REFRACTIVITY>
99.80860000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.48e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S)-1-(3-bromo-4-methoxyphenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}ethanol

> <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      -5.130   5.458   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.099   6.602   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.593   6.282   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.117   4.817   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.148   3.673   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.654   3.993   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -2.378   2.339   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -0.871   2.659   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.710   4.191   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.623   4.961   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.957   4.191   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       3.291   4.961   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       4.624   4.191   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.958   4.961   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.292   4.191   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.625   4.961   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.959   4.191   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.959   2.651   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.625   1.881   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.292   2.651   0.000  0.00  0.00           C+0
HETATM   21 Br   UNK     0       8.625   0.341   0.000  0.00  0.00          Br+0
HETATM   22  O   UNK     0      11.293   1.881   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      12.627   2.651   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.958   6.501   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
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                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   24                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   15                                                       
CONECT   21   19                                                            
CONECT   22   18   23                                                       
CONECT   23   22                                                            
CONECT   24   14                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₁BrN₂O₂

Average Mass

389.2930 Da

Monoisotopic Mass

388.07864 Da

IUPAC Name

(1S)-1-(3-bromo-4-methoxyphenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}ethan-1-ol

Traditional Name

(1S)-1-(3-bromo-4-methoxyphenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}ethanol

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1Br)[C@H](O)CNCCC1=CNC2=CC=CC=C12

InChI Identifier

InChI=1S/C19H21BrN2O2/c1-24-19-7-6-13(10-16(19)20)18(23)12-21-9-8-14-11-22-17-5-3-2-4-15(14)17/h2-7,10-11,18,21-23H,8-9,12H2,1H3/t18-/m1/s1

InChI Key

WVUGPBDGSNGOCB-GOSISDBHSA-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
Chelonaplysilla sp.	Animalia	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the 3-position by an ethanamine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Tryptamines and derivatives

Direct Parent

Tryptamines and derivatives

Alternative Parents

Substituents

Tryptamine
3-alkylindole
Indole
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
Bromobenzene
Halobenzene
Aralkylamine
Aryl bromide
Aryl halide
Monocyclic benzene moiety
Benzenoid
Substituted pyrrole
Pyrrole
Heteroaromatic compound
Secondary alcohol
1,2-aminoalcohol
Secondary amine
Secondary aliphatic amine
Ether
Azacycle
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Alcohol
Organonitrogen compound
Organooxygen compound
Aromatic alcohol
Organobromide
Amine
Organohalogen compound
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	3.25	ALOGPS
logP	3.62	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	14.06	ChemAxon
pKa (Strongest Basic)	9.74	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	57.28 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	99.81 m³·mol⁻¹	ChemAxon
Polarizability	38.7 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

9660880

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11486061

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (S)-(+)-Chelonin B (NP0068914)

MOL for NP0068914 ((S)-(+)-Chelonin B)

3D MOL for NP0068914 ((S)-(+)-Chelonin B)

3D SDF for NP0068914 ((S)-(+)-Chelonin B)

3D-SDF for NP0068914 ((S)-(+)-Chelonin B)

PDB for NP0068914 ((S)-(+)-Chelonin B)

3D PDB for NP0068914 ((S)-(+)-Chelonin B)

SMILES for NP0068914 ((S)-(+)-Chelonin B)

INCHI for NP0068914 ((S)-(+)-Chelonin B)

Structure for NP0068914 ((S)-(+)-Chelonin B)

3D Structure for NP0068914 ((S)-(+)-Chelonin B)