NP-MRD: Showing NP-Card for 3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid (NP0259225)

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Record Information

Version

2.0

Created at

2022-09-08 01:01:12 UTC

Updated at

2022-09-08 01:01:12 UTC

NP-MRD ID

NP0259225

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid

Description

Algal extract belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative. 3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid was first documented in 2022 (PMID: 36042243). Based on a literature review a small amount of articles have been published on Algal extract (PMID: 36006237) (PMID: 35906537) (PMID: 35531156) (PMID: 35468509).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082203012D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082203012D          

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  -10.2322   -7.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4038   -8.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7843   -6.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6047   -6.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9403   -7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3718   -5.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7073   -5.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4996   -5.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4996   -4.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8322   -5.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0476   -5.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8760   -4.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0914   -4.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4783   -5.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9199   -3.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2297   -7.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4012   -8.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7881   -9.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9597   -9.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3466  -10.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7443  -10.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4760   -7.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7616   -7.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096   -7.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0846   -7.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997   -7.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8297   -6.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450   -6.0586    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  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  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  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 10 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  8 31  2  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
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 31 37  1  0  0  0  0
  6 37  2  0  0  0  0
 37 38  1  0  0  0  0
  4 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
  3 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0259225

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1=C(C)C(\C=C2/N\C(=C\C3=C(CCC(O)=O)C(C)=C(N3)\C=C3/N=C(O)C(C)/C/3=C\C)C(CCC(O)=O)=C2C)=NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,34-35H,8-12H2,1-6H3,(H,37,42)(H,38,39)(H,40,41)/b20-7+,24-13-,27-14-,28-15+

> <INCHI_KEY>
NNMALANKTSRILL-PGRWMSGISA-N

> <FORMULA>
C33H38N4O6

> <MOLECULAR_WEIGHT>
586.689

> <EXACT_MASS>
586.27913496

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
66.41385328676684

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(2-{[(2E,5Z)-3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-2-oxo-2H-pyrrol-5-yl)methylidene]-4-methyl-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-5-{[(2E,3E)-3-ethylidene-5-hydroxy-4-methyl-3,4-dihydro-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

> <JCHEM_LOGP>
3.380725276272291

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.067577848400917

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.525736770940946

> <JCHEM_PKA_STRONGEST_BASIC>
5.630092640592569

> <JCHEM_POLAR_SURFACE_AREA>
164.43999999999997

> <JCHEM_REFRACTIVITY>
169.82930000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-(2-{[(2E,5Z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1H-pyrrol-2-ylidene]methyl}-5-{[(2E,3E)-3-ethylidene-5-hydroxy-4-methyl-4H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.328  -8.570   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.661  -9.340   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.661 -10.880   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.907 -11.785   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.372 -11.309   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.516 -12.340   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0     -10.023 -12.020   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0     -10.793 -13.353   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -12.324 -13.514   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -13.229 -12.268   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0     -14.769 -12.268   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0     -15.245 -10.804   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -16.710 -10.328   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -17.854 -11.358   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0     -17.693 -12.890   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0     -19.100 -13.516   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -19.420 -15.023   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -20.131 -12.372   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -21.662 -12.533   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -22.289 -13.940   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -19.361 -11.038   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -19.987  -9.631   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -13.999  -9.899   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -13.999  -8.359   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -12.753 -10.804   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -11.289 -10.328   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -10.969  -8.822   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.504  -8.346   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -8.360  -9.376   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -9.184  -6.839   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -9.762 -14.498   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -10.082 -16.004   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -8.938 -17.035   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -9.258 -18.541   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -8.114 -19.571   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0     -10.723 -19.017   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -8.355 -13.871   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -7.022 -14.641   0.000  0.00  0.00           C+0
HETATM   39  N   UNK     0      -5.431 -13.250   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      -3.891 -13.250   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -2.986 -14.496   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -3.415 -11.785   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -1.951 -11.309   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   42                                                  
CONECT    4    3    5   39                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   37                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   31                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   25                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   14   22                                                  
CONECT   22   21                                                            
CONECT   23   12   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   10   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31    8   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   31    6   38                                                  
CONECT   38   37                                                            
CONECT   39    4   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40    3   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₈N₄O₆

Average Mass

586.6890 Da

Monoisotopic Mass

586.27913 Da

IUPAC Name

3-(2-{[(2E,5Z)-3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-2-oxo-2H-pyrrol-5-yl)methylidene]-4-methyl-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-5-{[(2E,3E)-3-ethylidene-5-hydroxy-4-methyl-3,4-dihydro-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

Traditional Name

3-(2-{[(2E,5Z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1H-pyrrol-2-ylidene]methyl}-5-{[(2E,3E)-3-ethylidene-5-hydroxy-4-methyl-4H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

CAS Registry Number

Not Available

SMILES

CCC1=C(C)C(\C=C2/N\C(=C\C3=C(CCC(O)=O)C(C)=C(N3)\C=C3/N=C(O)C(C)/C/3=C\C)C(CCC(O)=O)=C2C)=NC1=O

InChI Identifier

InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,34-35H,8-12H2,1-6H3,(H,37,42)(H,38,39)(H,40,41)/b20-7+,24-13-,27-14-,28-15+

InChI Key

NNMALANKTSRILL-PGRWMSGISA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Sub Class

Bilirubins

Direct Parent

Bilirubins

Alternative Parents

Substituents

Bilirubin skeleton
Dipyrrin
Dicarboxylic acid or derivatives
Pyrrolidone
2-pyrrolidone
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Pyrrolidine
Lactam
N-acylimine
Carboxamide group
Secondary carboxylic acid amide
Organic 1,3-dipolar compound
Azacycle
Carboxylic acid derivative
Carboxylic acid
Propargyl-type 1,3-dipolar organic compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	3.38	ChemAxon
pKa (Strongest Acidic)	3.53	ChemAxon
pKa (Strongest Basic)	5.63	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	164.44 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	169.83 m³·mol⁻¹	ChemAxon
Polarizability	66.41 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

4572987

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5459159

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Thiurunavukkarau R, Shanmugam S, Subramanian K, Pandi P, Muralitharan G, Arokiarajan M, Kasinathan K, Sivaraj A, Kalyanasundaram R, AlOmar SY, Shanmugam V: Silver nanoparticles synthesized from the seaweed Sargassum polycystum and screening for their biological potential. Sci Rep. 2022 Aug 30;12(1):14757. doi: 10.1038/s41598-022-18379-2. [PubMed:36042243 ]
Goncalves AT, Llanos-Rivera A, Ruano M, Avello V, Gallardo-Rodriguez JJ, Astuya-Villalon A: Physiological Response of Atlantic Salmon (Salmo salar) to Long-Term Exposure to an Anesthetic Obtained from Heterosigma akashiwo. Toxins (Basel). 2022 Aug 22;14(8):575. doi: 10.3390/toxins14080575. [PubMed:36006237 ]
Elakbawy WM, Shanab SMM, Shalaby EA: Enhancement of plant growth regulators production from microalgae cultivated in treated sewage wastewater (TSW). BMC Plant Biol. 2022 Jul 29;22(1):377. doi: 10.1186/s12870-022-03764-w. [PubMed:35906537 ]
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LOTUS database [Link]

Showing NP-Card for 3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid (NP0259225)

MOL for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

3D MOL for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

3D SDF for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

3D-SDF for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

PDB for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

3D PDB for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

SMILES for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

INCHI for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

Structure for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)

3D Structure for NP0259225 (3-(2-{[(2e,5z)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-1h-pyrrol-2-ylidene]methyl}-5-{[(2e,3e)-3-ethylidene-5-hydroxy-4-methyl-4h-pyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid)