NP-MRD: Showing NP-Card for 2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid (NP0213890)

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Record Information

Version

2.0

Created at

2022-09-05 13:00:53 UTC

Updated at

2022-09-05 13:00:53 UTC

NP-MRD ID

NP0213890

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid

Description

Viridiofungin A belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid is found in Trichoderma viride. 2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid was first documented in 2005 (PMID: 15989340). Based on a literature review a small amount of articles have been published on Viridiofungin A (PMID: 35736440) (PMID: 33885316) (PMID: 22195730) (PMID: 15856117).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052215002D          

 42 42  0  0  0  0            999 V2000
    8.5737   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7171  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8605   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2894   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5762   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7197  -11.7414    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  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 34 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309052215002D          

 42 42  0  0  0  0            999 V2000
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   17.8618  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5775   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5775   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2920   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1322   -9.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486   -9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3072  -11.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4822  -11.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197  -11.7414    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  1  0  0  0  0
  4  5  1  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
  8 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  1  0  0  0  0
 16 17  2  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
 19 21  2  0  0  0  0
 21 22  1  4  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 24 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 34 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0213890

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCC(=O)CCCCCC\C=C\C(C(O)=NC(CC1=CC=C(O)C=C1)C(O)=O)C(O)(CC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H45NO10/c1-2-3-4-7-10-13-23(33)14-11-8-5-6-9-12-15-25(31(42,30(40)41)21-27(35)36)28(37)32-26(29(38)39)20-22-16-18-24(34)19-17-22/h12,15-19,25-26,34,42H,2-11,13-14,20-21H2,1H3,(H,32,37)(H,35,36)(H,38,39)(H,40,41)/b15-12+

> <INCHI_KEY>
QSQIZTATOSQHOO-NTCAYCPXSA-N

> <FORMULA>
C31H45NO10

> <MOLECULAR_WEIGHT>
591.698

> <EXACT_MASS>
591.304346653

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
63.84692905396295

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2E)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid

> <JCHEM_LOGP>
5.983535594999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.8155601717475705

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1964715541826774

> <JCHEM_PKA_STRONGEST_BASIC>
0.6897702089444961

> <JCHEM_POLAR_SURFACE_AREA>
202.01999999999995

> <JCHEM_REFRACTIVITY>
155.39040000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2E)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      16.004 -18.480   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.338 -19.250   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.672 -18.480   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.005 -19.250   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      21.339 -18.480   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      22.673 -19.250   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      24.006 -18.480   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      25.340 -19.250   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      25.340 -20.790   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      26.674 -18.480   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      28.007 -19.250   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      29.341 -18.480   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      30.675 -19.250   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      32.008 -18.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      33.342 -19.250   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      34.676 -18.480   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      36.009 -19.250   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      37.343 -18.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.343 -16.940   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      36.009 -16.170   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      38.677 -16.170   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      38.677 -14.630   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      40.010 -13.860   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      41.344 -14.630   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      42.678 -13.860   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      44.011 -14.630   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      44.011 -16.170   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      45.345 -16.940   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      42.678 -16.940   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      41.344 -16.170   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      37.343 -13.860   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      37.343 -12.320   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      36.009 -14.630   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      38.677 -19.250   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      39.447 -17.916   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      40.010 -20.020   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      41.344 -19.250   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      42.678 -20.020   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      41.344 -17.710   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      37.907 -20.584   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      36.367 -20.584   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      38.677 -21.917   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   34                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   24                                                       
CONECT   31   22   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   18   35   36   40                                             
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   34   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   84    0
END

View in JSmol

Synonyms

Value	Source
Viridiofungin a2	MeSH
Viridiofungin a4	MeSH

Chemical Formula

C₃₁H₄₅NO₁₀

Average Mass

591.6980 Da

Monoisotopic Mass

591.30435 Da

IUPAC Name

2-[(2E)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid

Traditional Name

2-[(2E)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCC(=O)CCCCCC\C=C\C(C(O)=NC(CC1=CC=C(O)C=C1)C(O)=O)C(O)(CC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C31H45NO10/c1-2-3-4-7-10-13-23(33)14-11-8-5-6-9-12-15-25(31(42,30(40)41)21-27(35)36)28(37)32-26(29(38)39)20-22-16-18-24(34)19-17-22/h12,15-19,25-26,34,42H,2-11,13-14,20-21H2,1H3,(H,32,37)(H,35,36)(H,38,39)(H,40,41)/b15-12+

InChI Key

QSQIZTATOSQHOO-NTCAYCPXSA-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

Species Name	Source	Reference
Trichoderma viride	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Tyrosine and derivatives

Alternative Parents

Substituents

Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
3-phenylpropanoic-acid
Amphetamine or derivatives
Tricarboxylic acid or derivatives
Phenol
1-hydroxy-2-unsubstituted benzenoid
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Fatty amide
Hydroxy acid
Alpha-hydroxy acid
N-acyl-amine
Tertiary alcohol
Ketone
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid
Organooxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	5.98	ChemAxon
pKa (Strongest Acidic)	3.2	ChemAxon
pKa (Strongest Basic)	0.69	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	202.02 Å²	ChemAxon
Rotatable Bond Count	23	ChemAxon
Refractivity	155.39 m³·mol⁻¹	ChemAxon
Polarizability	63.85 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

8114075

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9938450

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Pollex A, Millet A, Muller J, Hiersemann M, Abraham L: Ester dienolate [2,3]-Wittig rearrangement in natural product synthesis: diastereoselective total synthesis of the triester of viridiofungin A, A2, and A4. J Org Chem. 2005 Jul 8;70(14):5579-91. doi: 10.1021/jo0505270. [PubMed:15989340 ]
El-Hasan A, Walker F, Klaiber I, Schone J, Pfannstiel J, Voegele RT: New Approaches to Manage Asian Soybean Rust (Phakopsora pachyrhizi) Using Trichoderma spp. or Their Antifungal Secondary Metabolites. Metabolites. 2022 Jun 1;12(6):507. doi: 10.3390/metabo12060507. [PubMed:35736440 ]
Atkin L, Robertson A, White JM, Rizzacasa MA: Total Synthesis of Viridiofungins A and B. Org Lett. 2021 May 7;23(9):3557-3560. doi: 10.1021/acs.orglett.1c00971. Epub 2021 Apr 22. [PubMed:33885316 ]
Ghosh AK, Kass J: A stereoselective synthesis of (-)-viridiofungin A utilizing a TiCl(4)-promoted asymmetric multicomponent reaction. Org Lett. 2012 Jan 20;14(2):510-2. doi: 10.1021/ol203093g. Epub 2011 Dec 23. [PubMed:22195730 ]
Morokuma K, Takahashi K, Ishihara J, Hatakeyama S: Total synthesis of viridiofungin A. Chem Commun (Camb). 2005 May 7;(17):2265-7. doi: 10.1039/b500660k. Epub 2005 Mar 9. [PubMed:15856117 ]
LOTUS database [Link]

Showing NP-Card for 2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid (NP0213890)

MOL for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

3D MOL for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

3D SDF for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

3D-SDF for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

PDB for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

3D PDB for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

SMILES for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

INCHI for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

Structure for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)

3D Structure for NP0213890 (2-[(2e)-1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-10-oxoheptadec-2-en-1-yl]-2-hydroxybutanedioic acid)