NP-MRD: Showing NP-Card for Lamellarin K-20-Sulfate (NP0353261)

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Record Information

Version

2.0

Created at

2026-02-19 16:53:19 UTC

Updated at

2026-02-19 20:02:04 UTC

NP-MRD ID

NP0353261

Natural Product DOI

https://doi.org/10.57994/7706

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lamellarin K-20-Sulfate

Description

Lamellarin K-20-Sulfate was first documented in 2019 (PMID: 31306000).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03202314052D          

 43 48  0  0  0  0            999 V2000
    2.2863   -2.1129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    3.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248    3.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1393    2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.7152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8912    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4432    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8293   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813   -0.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    0.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035   -0.4706    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0646    0.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8384   -0.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566    2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  7 15  1  0  0  0  0
  6 16  2  0  0  0  0
 16 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  2  0  0  0  0
  3 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  2  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  2  0  0  0  0
 31 43  1  0  0  0  0
M  CHG  1  37  -1
M  END


  Mrv2104 03202314052D          

 43 48  0  0  0  0            999 V2000
    2.2863   -2.1129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    3.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248    3.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1393    2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.7152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8912    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4432    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8293   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813   -0.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    0.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035   -0.4706    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0646    0.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8384   -0.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566    2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  7 15  1  0  0  0  0
  6 16  2  0  0  0  0
 16 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  2  0  0  0  0
  3 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  2  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  2  0  0  0  0
 31 43  1  0  0  0  0
M  CHG  1  37  -1
M  END
> <DATABASE_ID>
NP0353261

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C1=C2N(CCC3=C2C=C(OC)C(OC)=C3O)C2=C1C1=C(OC2=O)C=C(OS([O-])(=O)=O)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H25NO12S/c1-37-19-9-13(5-6-17(19)31)23-24-16-11-20(38-2)21(42-43(34,35)36)12-18(16)41-29(33)26(24)30-8-7-14-15(25(23)30)10-22(39-3)28(40-4)27(14)32/h5-6,9-12,31-32H,7-8H2,1-4H3,(H,34,35,36)/p-1

> <INCHI_KEY>
LJRBRVAOPDFPIW-UHFFFAOYSA-M

> <FORMULA>
C29H24NO12S

> <MOLECULAR_WEIGHT>
610.57

> <EXACT_MASS>
610.102469971

$$$$

HEADER    PROTEIN                                 20-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-23         0                                  
HETATM    1  O   UNK     0       4.268  -3.944   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.792  -2.479   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.285  -2.159   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.822  -1.335   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.346   0.130   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.592   1.035   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.592   2.575   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.259   3.345   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.259   4.885   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.592   5.655   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.592   7.195   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.926   4.885   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.260   5.655   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.593   4.885   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.926   3.345   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.838   0.130   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       6.362  -1.335   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       7.393  -2.479   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.899  -2.159   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.375  -0.695   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.344   0.450   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.820   1.914   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.327   2.235   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.803   3.699   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      12.309   4.019   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.357   1.090   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      12.864   1.410   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      13.894   0.266   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.881  -0.374   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      11.912  -1.519   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.840   0.450   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.810  -0.695   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.303  -0.374   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.173   1.090   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.679   1.410   0.000  0.00  0.00           O+0
HETATM   36  S   UNK     0      -2.709   0.266   0.000  0.00  0.00           S+0
HETATM   37  O   UNK     0      -3.740  -0.879   0.000  0.00  0.00           O-1
HETATM   38  O   UNK     0      -3.854   1.296   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -1.565  -0.765   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       0.858   2.235   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       0.382   3.699   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       1.412   4.844   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.364   1.914   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2   32                                                       
CONECT    4    2    5   17                                                  
CONECT    5    4    6   31                                                  
CONECT    6    5    7   16                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12    7                                                       
CONECT   16    6   17   21                                                  
CONECT   17   16    4   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   29                                                  
CONECT   21   20   16   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   20   30                                                  
CONECT   30   29                                                            
CONECT   31    5   32   43                                                  
CONECT   32   31    3   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   40                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38   39                                             
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   36                                                            
CONECT   40   34   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40   31                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₂₄NO₁₂S

Average Mass

610.5700 Da

Monoisotopic Mass

610.10247 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)C1=C2N(CCC3=C2C=C(OC)C(OC)=C3O)C2=C1C1=C(OC2=O)C=C(OS([O-])(=O)=O)C(OC)=C1

InChI Identifier

InChI=1S/C29H25NO12S/c1-37-19-9-13(5-6-17(19)31)23-24-16-11-20(38-2)21(42-43(34,35)36)12-18(16)41-29(33)26(24)30-8-7-14-15(25(23)30)10-22(39-3)28(40-4)27(14)32/h5-6,9-12,31-32H,7-8H2,1-4H3,(H,34,35,36)/p-1

InChI Key

LJRBRVAOPDFPIW-UHFFFAOYSA-M

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Didemnum ternerratum		Not Available

Chemical Taxonomy

Classification

Not classified

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

External Links

Not Available

References

General References

Showing NP-Card for Lamellarin K-20-Sulfate (NP0353261)

MOL for NP0353261 (Lamellarin K-20-Sulfate)

3D MOL for NP0353261 (Lamellarin K-20-Sulfate)

3D SDF for NP0353261 (Lamellarin K-20-Sulfate)

3D-SDF for NP0353261 (Lamellarin K-20-Sulfate)

PDB for NP0353261 (Lamellarin K-20-Sulfate)

3D PDB for NP0353261 (Lamellarin K-20-Sulfate)

SMILES for NP0353261 (Lamellarin K-20-Sulfate)

INCHI for NP0353261 (Lamellarin K-20-Sulfate)

Structure for NP0353261 (Lamellarin K-20-Sulfate)

3D Structure for NP0353261 (Lamellarin K-20-Sulfate)