NP-MRD: Showing NP-Card for Lamellarin E-20-sulfate (NP0353262)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2026-02-19 16:55:52 UTC

Updated at

2026-02-19 20:02:04 UTC

NP-MRD ID

NP0353262

Natural Product DOI

https://doi.org/10.57994/7707

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lamellarin E-20-sulfate

Description

Lamellarin E-20-sulfate was first documented in 2019 (PMID: 31306000).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03202314082D          

 43 48  0  0  0  0            999 V2000
    3.7103   -3.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -3.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -2.2044    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   -0.9669    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
    3.7103   -0.9669    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
    4.4248   -2.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.5402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8912    0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1461   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8293    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    1.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -0.7152    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3698   -0.9701    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4094   -1.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390   -0.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    2.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  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
 11 16  1  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  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  2  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  2  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 28 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 26 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  CHG  1  36  -1
M  END


  Mrv2104 03202314082D          

 43 48  0  0  0  0            999 V2000
    3.7103   -3.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -3.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -2.2044    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   -0.9669    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
    3.7103   -0.9669    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
    4.4248   -2.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.5402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8912    0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1461   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8293    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    1.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -0.7152    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3698   -0.9701    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4094   -1.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390   -0.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    2.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  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
 11 16  1  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  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  2  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  2  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 28 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 26 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  CHG  1  36  -1
M  END
> <DATABASE_ID>
NP0353262

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1O)C1=C2N(CCC3=C2C=C(OC)C(OC)=C3O)C2=C1C1=CC(OC)=C(OS([O-])(=O)=O)C=C1OC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H25NO12S/c1-37-18-6-5-13(9-17(18)31)23-24-16-11-20(38-2)21(42-43(34,35)36)12-19(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>
HOJIYQHQQLERAS-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  C   UNK     0       6.926  -6.425   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.592  -5.655   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.592  -4.115   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.259  -3.345   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.259  -1.805   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       6.926  -1.805   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.926  -3.345   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.260  -4.115   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.592   0.505   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.838   1.410   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       6.362   2.875   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       7.393   4.019   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.899   3.699   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.375   2.235   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.344   1.090   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.820  -0.374   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.327  -0.695   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.803  -2.159   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      12.309  -2.479   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.357   0.450   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.864   0.130   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      13.339  -1.335   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.881   1.914   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      11.912   3.059   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.822   2.875   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.346   1.410   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.840   1.090   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.364  -0.374   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.858  -0.695   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.382  -2.159   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.412  -3.304   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.173   0.450   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.679   0.130   0.000  0.00  0.00           O+0
HETATM   35  S   UNK     0      -2.155  -1.335   0.000  0.00  0.00           S+0
HETATM   36  O   UNK     0      -0.690  -1.811   0.000  0.00  0.00           O-1
HETATM   37  O   UNK     0      -2.631  -2.800   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -3.620  -0.859   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.303   1.914   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.810   2.235   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       2.285   3.699   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       3.792   4.019   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       4.268   5.484   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    6   11   27                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13   26                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   11   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   15   25                                                  
CONECT   25   24                                                            
CONECT   26   12   27   42                                                  
CONECT   27   26   10   28                                                  
CONECT   28   27   29   40                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37   38                                             
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   35                                                            
CONECT   39   33   40                                                       
CONECT   40   39   28   41                                                  
CONECT   41   40   42                                                       
CONECT   42   41   26   43                                                  
CONECT   43   42                                                            
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=C(C=C1O)C1=C2N(CCC3=C2C=C(OC)C(OC)=C3O)C2=C1C1=CC(OC)=C(OS([O-])(=O)=O)C=C1OC2=O

InChI Identifier

InChI=1S/C29H25NO12S/c1-37-18-6-5-13(9-17(18)31)23-24-16-11-20(38-2)21(42-43(34,35)36)12-19(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

HOJIYQHQQLERAS-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 E-20-sulfate (NP0353262)

MOL for NP0353262 (Lamellarin E-20-sulfate)

3D MOL for NP0353262 (Lamellarin E-20-sulfate)

3D SDF for NP0353262 (Lamellarin E-20-sulfate)

3D-SDF for NP0353262 (Lamellarin E-20-sulfate)

PDB for NP0353262 (Lamellarin E-20-sulfate)

3D PDB for NP0353262 (Lamellarin E-20-sulfate)

SMILES for NP0353262 (Lamellarin E-20-sulfate)

INCHI for NP0353262 (Lamellarin E-20-sulfate)

Structure for NP0353262 (Lamellarin E-20-sulfate)

3D Structure for NP0353262 (Lamellarin E-20-sulfate)