NP-MRD: Showing NP-Card for Pseudodesmin A (NP0333713)

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Record Information

Version

2.0

Created at

2024-08-08 17:45:18 UTC

Updated at

2024-09-16 10:46:59 UTC

NP-MRD ID

NP0333713

Natural Product DOI

https://doi.org/10.57994/3192

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Pseudodesmin A

Description

Pseudodesmin A was first documented in 2009 (PMID: 19839018). Based on a literature review a significant number of articles have been published on Pseudodesmin A (PMID: 25382202) (PMID: 35927958) (PMID: 34594308) (PMID: 32373092) (PMID: 31558021) (PMID: 28007479).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04222320182D          

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M  END


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  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 36  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 41  1  1  0  0  0
 37 42  1  0  0  0  0
 42 43  1  0  0  0  0
 44 43  1  0  0  0  0
  4 44  1  0  0  0  0
 44 45  1  6  0  0  0
 42 46  2  0  0  0  0
 35 47  2  0  0  0  0
 30 48  2  0  0  0  0
 23 49  2  0  0  0  0
 18 50  2  0  0  0  0
 11 51  2  0  0  0  0
  5 52  2  0  0  0  0
 53  2  1  0  0  0  0
 53 54  1  1  0  0  0
 54 55  1  0  0  0  0
 56 55  1  0  0  0  0
 56 57  1  1  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 60 59  1  0  0  0  0
 60 61  1  1  0  0  0
 60 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 58 69  2  0  0  0  0
 56 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 71 73  1  0  0  0  0
 55 74  2  0  0  0  0
 53 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 77 79  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0333713

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC1=O)C(C)C)[C@@H](C)CC

> <INCHI_IDENTIFIER>
InChI=1S/C54H96N10O15/c1-13-15-16-17-18-19-34(67)25-42(69)56-36(22-28(3)4)47(71)57-35(20-21-41(55)68)46(70)64-45-33(12)79-54(78)44(32(11)14-2)63-51(75)40(27-66)61-48(72)37(23-29(5)6)58-50(74)39(26-65)60-49(73)38(24-30(7)8)59-52(76)43(31(9)10)62-53(45)77/h28-40,43-45,65-67H,13-27H2,1-12H3,(H2,55,68)(H,56,69)(H,57,71)(H,58,74)(H,59,76)(H,60,73)(H,61,72)(H,62,77)(H,63,75)(H,64,70)/t32-,33+,34+,35+,36-,37-,38?,39+,40?,43+,44-,45?/m0/s1

> <INCHI_KEY>
SBKWAHPUHRUGMG-QQJLHEGNSA-N

> <FORMULA>
C54H96N10O15

> <MOLECULAR_WEIGHT>
1125.417

> <EXACT_MASS>
1124.705662431

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
175

> <JCHEM_AVERAGE_POLARIZABILITY>
121.46524700017144

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
13

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-N-[(3S,6R,9S,12R,15R,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-(propan-2-yl)-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-2-[(2S)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]pentanediamide

> <JCHEM_LOGP>
0.29180125200000184

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.5723220335039

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.187021241737488

> <JCHEM_POLAR_SURFACE_AREA>
391.9799999999999

> <JCHEM_REFRACTIVITY>
288.45300000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
27

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-N-[(3S,6R,9S,12R,15R,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-18-isopropyl-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-2-[(2S)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]pentanediamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-APR-23         0                                  
HETATM    1  O   UNK     0      -2.493   5.888   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.066   4.409   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.571   4.039   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.497   5.148   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.998   5.518   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -1.426   6.998   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -0.358   8.108   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.785   9.587   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.283  10.697   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.280   9.957   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.137   7.738   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       2.205   8.847   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       3.700   8.477   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.273   9.957   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.778  10.327   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.710   9.217   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.351  11.806   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.768   9.587   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       6.263   9.217   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       7.330  10.327   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.903  11.806   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.971  12.916   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.825   9.957   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       9.252   8.477   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      10.747   8.108   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.815   9.217   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.310   8.847   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.737   7.368   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.378   9.957   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.175   6.628   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      10.107   5.518   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       8.612   5.888   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.039   4.409   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.534   4.039   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       7.544   4.778   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0       6.049   5.148   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       4.981   4.039   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.408   2.559   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.341   1.449   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.768  -0.030   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.903   2.189   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.486   4.409   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.419   3.299   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       0.924   3.669   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -0.144   2.559   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       3.059   5.888   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0       7.971   3.299   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      12.669   6.258   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0       9.893  11.067   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       4.341  11.067   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       1.564   6.258   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -2.515   5.248   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      -3.134   3.299   0.000  0.00  0.00           C+0
HETATM   54  N   UNK     0      -4.629   3.669   0.000  0.00  0.00           N+0
HETATM   55  C   UNK     0      -5.697   2.559   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -7.192   2.929   0.000  0.00  0.00           C+0
HETATM   57  N   UNK     0      -8.259   1.819   0.000  0.00  0.00           N+0
HETATM   58  C   UNK     0      -9.754   2.189   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0     -10.822   1.079   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0     -12.317   1.449   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0     -12.744   2.929   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0     -13.385   0.340   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0     -14.880   0.710   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0     -15.948  -0.400   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0     -17.442  -0.030   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0     -18.510  -1.140   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0     -20.005  -0.770   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0     -21.073  -1.880   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0     -10.181   3.669   0.000  0.00  0.00           O+0
HETATM   70  C   UNK     0      -7.619   4.409   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      -6.551   5.518   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      -6.978   6.998   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      -5.056   5.148   0.000  0.00  0.00           C+0
HETATM   74  O   UNK     0      -5.270   1.079   0.000  0.00  0.00           O+0
HETATM   75  C   UNK     0      -2.707   1.819   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      -3.775   0.710   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      -3.348  -0.770   0.000  0.00  0.00           C+0
HETATM   78  N   UNK     0      -1.853  -1.140   0.000  0.00  0.00           N+0
HETATM   79  O   UNK     0      -4.415  -1.880   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   53                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   44                                                  
CONECT    5    4    6   52                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    7   12   51                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19   50                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   49                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31   48                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   47                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   42                                                  
CONECT   38   37   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   38                                                            
CONECT   42   37   43   46                                                  
CONECT   43   42   44                                                       
CONECT   44   43    4   45                                                  
CONECT   45   44                                                            
CONECT   46   42                                                            
CONECT   47   35                                                            
CONECT   48   30                                                            
CONECT   49   23                                                            
CONECT   50   18                                                            
CONECT   51   11                                                            
CONECT   52    5                                                            
CONECT   53    2   54   75                                                  
CONECT   54   53   55                                                       
CONECT   55   54   56   74                                                  
CONECT   56   55   57   70                                                  
CONECT   57   56   58                                                       
CONECT   58   57   59   69                                                  
CONECT   59   58   60                                                       
CONECT   60   59   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   67                                                       
CONECT   67   66   68                                                       
CONECT   68   67                                                            
CONECT   69   58                                                            
CONECT   70   56   71                                                       
CONECT   71   70   72   73                                                  
CONECT   72   71                                                            
CONECT   73   71                                                            
CONECT   74   55                                                            
CONECT   75   53   76                                                       
CONECT   76   75   77                                                       
CONECT   77   76   78   79                                                  
CONECT   78   77                                                            
CONECT   79   77                                                            
MASTER        0    0    0    0    0    0    0    0   79    0  158    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₄H₉₆N₁₀O₁₅

Average Mass

1125.4170 Da

Monoisotopic Mass

1124.70566 Da

IUPAC Name

(2R)-N-[(3S,6R,9S,12R,15R,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-(propan-2-yl)-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-2-[(2S)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]pentanediamide

Traditional Name

(2R)-N-[(3S,6R,9S,12R,15R,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-18-isopropyl-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-2-[(2S)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]pentanediamide

CAS Registry Number

Not Available

SMILES

CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC1=O)C(C)C)[C@@H](C)CC

InChI Identifier

InChI=1S/C54H96N10O15/c1-13-15-16-17-18-19-34(67)25-42(69)56-36(22-28(3)4)47(71)57-35(20-21-41(55)68)46(70)64-45-33(12)79-54(78)44(32(11)14-2)63-51(75)40(27-66)61-48(72)37(23-29(5)6)58-50(74)39(26-65)60-49(73)38(24-30(7)8)59-52(76)43(31(9)10)62-53(45)77/h28-40,43-45,65-67H,13-27H2,1-12H3,(H2,55,68)(H,56,69)(H,57,71)(H,58,74)(H,59,76)(H,60,73)(H,61,72)(H,62,77)(H,63,75)(H,64,70)/t32-,33+,34+,35+,36-,37-,38?,39+,40?,43+,44-,45?/m0/s1

InChI Key

SBKWAHPUHRUGMG-QQJLHEGNSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
MLEV NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3CN, experimental)	harald.gross@uni-tuebingen.de	University of Tuebingen, Germany	Harald Gross	2024-08-08	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3CN, experimental)	harald.gross@uni-tuebingen.de	University of Tuebingen, Germany	Harald Gross	2024-08-08	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD3CN, experimental)	harald.gross@uni-tuebingen.de	University of Tuebingen, Germany	Harald Gross	2024-08-08	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3CN, experimental)	harald.gross@uni-tuebingen.de	University of Tuebingen, Germany	Harald Gross	2024-08-08	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
tolaasii		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
logP	0.29	ChemAxon
pKa (Strongest Acidic)	11.19	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	13	ChemAxon
Polar Surface Area	391.98 Å²	ChemAxon
Rotatable Bond Count	27	ChemAxon
Refractivity	288.45 m³·mol⁻¹	ChemAxon
Polarizability	121.47 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

Not Available

KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

Geudens N, De Vleeschouwer M, Feher K, Rokni-Zadeh H, Ghequire MG, Madder A, De Mot R, Martins JC, Sinnaeve D: Impact of a stereocentre inversion in cyclic lipodepsipeptides from the viscosin group: a comparative study of the viscosinamide and pseudodesmin conformation and self-assembly. Chembiochem. 2014 Dec 15;15(18):2736-46. doi: 10.1002/cbic.201402389. Epub 2014 Nov 7. [PubMed:25382202 ]
Steigenberger J, Verleysen Y, Geudens N, Madder A, Martins JC, Heerklotz H: Complex electrostatic effects on the selectivity of membrane-permeabilizing cyclic lipopeptides. Biophys J. 2023 Mar 21;122(6):950-963. doi: 10.1016/j.bpj.2022.07.033. Epub 2022 Aug 3. [PubMed:35927958 ]
Steigenberger J, Verleysen Y, Geudens N, Martins JC, Heerklotz H: The Optimal Lipid Chain Length of a Membrane-Permeabilizing Lipopeptide Results From the Balance of Membrane Partitioning and Local Damage. Front Microbiol. 2021 Sep 14;12:669709. doi: 10.3389/fmicb.2021.669709. eCollection 2021. [PubMed:34594308 ]
De Vleeschouwer M, Van Kersavond T, Verleysen Y, Sinnaeve D, Coenye T, Martins JC, Madder A: Identification of the Molecular Determinants Involved in Antimicrobial Activity of Pseudodesmin A, a Cyclic Lipopeptide From the Viscosin Group. Front Microbiol. 2020 Apr 21;11:646. doi: 10.3389/fmicb.2020.00646. eCollection 2020. [PubMed:32373092 ]
Crowet JM, Sinnaeve D, Feher K, Laurin Y, Deleu M, Martins JC, Lins L: Molecular Model for the Self-Assembly of the Cyclic Lipodepsipeptide Pseudodesmin A. J Phys Chem B. 2019 Oct 24;123(42):8916-8922. doi: 10.1021/acs.jpcb.9b08035. Epub 2019 Oct 14. [PubMed:31558021 ]
Geudens N, Nasir MN, Crowet JM, Raaijmakers JM, Feher K, Coenye T, Martins JC, Lins L, Sinnaeve D, Deleu M: Membrane Interactions of Natural Cyclic Lipodepsipeptides of the Viscosin Group. Biochim Biophys Acta Biomembr. 2017 Mar;1859(3):331-339. doi: 10.1016/j.bbamem.2016.12.013. Epub 2016 Dec 20. [PubMed:28007479 ]
De Vleeschouwer M, Martins JC, Madder A: First total synthesis of WLIP: on the importance of correct protecting group choice. J Pept Sci. 2016 Mar;22(3):149-55. doi: 10.1002/psc.2852. [PubMed:26856688 ]
De Vleeschouwer M, Sinnaeve D, Van den Begin J, Coenye T, Martins JC, Madder A: Rapid total synthesis of cyclic lipodepsipeptides as a premise to investigate their self-assembly and biological activity. Chemistry. 2014 Jun 16;20(25):7766-75. doi: 10.1002/chem.201402066. Epub 2014 May 9. [PubMed:24817328 ]
Sinnaeve D, Hendrickx PM, Van Hemel J, Peys E, Kieffer B, Martins JC: The solution structure and self-association properties of the cyclic lipodepsipeptide pseudodesmin A support its pore-forming potential. Chemistry. 2009 Nov 23;15(46):12653-62. doi: 10.1002/chem.200901885. [PubMed:19839018 ]

Showing NP-Card for Pseudodesmin A (NP0333713)

MOL for NP0333713 (Pseudodesmin A)

3D MOL for NP0333713 (Pseudodesmin A)

3D SDF for NP0333713 (Pseudodesmin A)

3D-SDF for NP0333713 (Pseudodesmin A)

PDB for NP0333713 (Pseudodesmin A)

3D PDB for NP0333713 (Pseudodesmin A)

SMILES for NP0333713 (Pseudodesmin A)

INCHI for NP0333713 (Pseudodesmin A)

Structure for NP0333713 (Pseudodesmin A)

3D Structure for NP0333713 (Pseudodesmin A)