NP-MRD: Showing NP-Card for Lamellarin D-8-sulfate (NP0353265)

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Record Information

Version

2.0

Created at

2026-02-19 17:53:10 UTC

Updated at

2026-02-19 20:02:04 UTC

NP-MRD ID

NP0353265

Natural Product DOI

https://doi.org/10.57994/7710

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lamellarin D-8-sulfate

Description

Lamellarin D-8-sulfate was first documented in 2019 (PMID: 31306000).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03202315052D          

 41 46  0  0  0  0            999 V2000
   -5.2389   -0.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4319   -0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1770   -1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0110   -1.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    1.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    2.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762   -1.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311   -2.1251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791   -2.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4279   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477    0.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8956    1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -0.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    0.1302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    0.3851    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0616    0.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5913   -0.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898   -1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561   -2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   -2.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1151   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -3.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799   -0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1349    0.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9418    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  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  1  0  0  0  0
  8  9  2  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
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
  8 16  1  0  0  0  0
  7 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  2  0  0  0  0
 27 33  2  0  0  0  0
 21 33  1  0  0  0  0
  6 34  2  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  4 36  1  0  0  0  0
 35 37  2  0  0  0  0
  5 38  1  0  0  0  0
 38 39  2  0  0  0  0
  2 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  CHG  1  30  -1
M  END


  Mrv2104 03202315052D          

 41 46  0  0  0  0            999 V2000
   -5.2389   -0.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4319   -0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1770   -1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0110   -1.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    1.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    2.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762   -1.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311   -2.1251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791   -2.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4279   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477    0.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8956    1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -0.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    0.1302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    0.3851    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0616    0.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5913   -0.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898   -1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561   -2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   -2.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1151   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -3.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799   -0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1349    0.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9418    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  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  1  0  0  0  0
  8  9  2  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
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
  8 16  1  0  0  0  0
  7 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  2  0  0  0  0
 27 33  2  0  0  0  0
 21 33  1  0  0  0  0
  6 34  2  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  4 36  1  0  0  0  0
 35 37  2  0  0  0  0
  5 38  1  0  0  0  0
 38 39  2  0  0  0  0
  2 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  CHG  1  30  -1
M  END
> <DATABASE_ID>
NP0353265

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(OC(=O)C3=C2C(=C2N3C=CC3=C2C=C(OC)C(OS([O-])(=O)=O)=C3)C2=CC(OC)=C(O)C=C2)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C28H21NO11S/c1-36-20-9-14(4-5-17(20)30)24-25-16-11-21(37-2)18(31)12-19(16)39-28(32)27(25)29-7-6-13-8-23(40-41(33,34)35)22(38-3)10-15(13)26(24)29/h4-12,30-31H,1-3H3,(H,33,34,35)/p-1

> <INCHI_KEY>
NPYJMADOYOBWHQ-UHFFFAOYSA-M

> <FORMULA>
C28H20NO11S

> <MOLECULAR_WEIGHT>
578.52

> <EXACT_MASS>
578.076255222

$$$$

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      -9.779  -1.222   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -8.273  -1.542   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.797  -3.006   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.291  -3.327   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.260  -2.182   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.754  -2.502   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.508  -1.597   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.508  -0.057   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.174   0.713   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.174   2.253   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.159   3.023   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.159   4.563   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.508   3.023   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.508   4.563   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.842   2.253   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.842   0.713   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.262  -2.502   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -1.738  -3.967   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -0.708  -5.111   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.799  -4.791   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.275  -3.327   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.244  -2.182   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.720  -0.718   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.226  -0.397   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.702   1.067   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.672   2.212   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.257  -1.542   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.763  -1.222   0.000  0.00  0.00           O+0
HETATM   29  S   UNK     0       5.239   0.243   0.000  0.00  0.00           S+0
HETATM   30  O   UNK     0       3.774   0.719   0.000  0.00  0.00           O-1
HETATM   31  O   UNK     0       5.715   1.708   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.704  -0.233   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.781  -3.006   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -3.278  -3.967   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.309  -5.111   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -5.815  -4.791   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -3.833  -6.576   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -5.736  -0.718   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -7.243  -0.397   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -7.718   1.067   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -9.225   1.387   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   36                                                  
CONECT    5    4    6   38                                                  
CONECT    6    5    7   34                                                  
CONECT    7    6    8   17                                                  
CONECT    8    7    9   16                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15    8                                                       
CONECT   17    7   18   22                                                  
CONECT   18   17   19   34                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   33                                                  
CONECT   22   21   17   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28   33                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   29                                                            
CONECT   33   27   21                                                       
CONECT   34    6   18   35                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35    4                                                       
CONECT   37   35                                                            
CONECT   38    5   39                                                       
CONECT   39   38    2   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₂₀NO₁₁S

Average Mass

578.5200 Da

Monoisotopic Mass

578.07626 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(OC(=O)C3=C2C(=C2N3C=CC3=C2C=C(OC)C(OS([O-])(=O)=O)=C3)C2=CC(OC)=C(O)C=C2)C=C1O

InChI Identifier

InChI=1S/C28H21NO11S/c1-36-20-9-14(4-5-17(20)30)24-25-16-11-21(37-2)18(31)12-19(16)39-28(32)27(25)29-7-6-13-8-23(40-41(33,34)35)22(38-3)10-15(13)26(24)29/h4-12,30-31H,1-3H3,(H,33,34,35)/p-1

InChI Key

NPYJMADOYOBWHQ-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 D-8-sulfate (NP0353265)

MOL for NP0353265 (Lamellarin D-8-sulfate)

3D MOL for NP0353265 (Lamellarin D-8-sulfate)

3D SDF for NP0353265 (Lamellarin D-8-sulfate)

3D-SDF for NP0353265 (Lamellarin D-8-sulfate)

PDB for NP0353265 (Lamellarin D-8-sulfate)

3D PDB for NP0353265 (Lamellarin D-8-sulfate)

SMILES for NP0353265 (Lamellarin D-8-sulfate)

INCHI for NP0353265 (Lamellarin D-8-sulfate)

Structure for NP0353265 (Lamellarin D-8-sulfate)

3D Structure for NP0353265 (Lamellarin D-8-sulfate)