NP-MRD: Showing NP-Card for GDP-mannuronate (NP0339580)

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Record Information

Version

2.0

Created at

2024-09-11 22:33:10 UTC

Updated at

2024-09-11 22:33:10 UTC

NP-MRD ID

NP0339580

Secondary Accession Numbers

None

Natural Product Identification

Common Name

GDP-mannuronate

Description

GDP-mannuronate belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group. GDP-mannuronate was first documented in 2023 (PMID: 38136683). Based on a literature review very few articles have been published on GDP-mannuronate.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05272301052D          

 40 43  0  0  0  0            999 V2000
    7.4450    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1910    5.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250    2.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9200    5.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    2.0650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1429    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290    1.2370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3000    2.0650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8580    1.2370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290    2.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9200    4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990    6.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5540    2.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7150    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    2.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750    4.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    5.8930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990    4.3880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    5.6380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    4.5599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9890    1.4020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7850    1.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5720    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1969    6.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150    3.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0620    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0119    1.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090    3.3830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3680    1.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    3.3830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8320    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8840    3.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    2.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100    2.5620    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    2.5620    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 13 21  1  1  0  0  0
  8 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  5  8  1  0  0  0  0
  3  5  1  0  0  0  0
 11 21  1  0  0  0  0
  4 11  2  0  0  0  0
 20 12  1  0  0  0  0
 12  4  1  0  0  0  0
 16 20  1  0  0  0  0
 10 14  1  1  0  0  0
 38 40  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 15  1  0  0  0  0
 36 10  1  0  0  0  0
 36 15  1  0  0  0  0
 35 13  1  0  0  0  0
 35  3  1  0  0  0  0
 34 39  1  0  0  0  0
 11 19  1  0  0  0  0
 19 16  2  0  0  0  0
 18  4  1  0  0  0  0
  3  1  1  1  0  0  0
  1 34  1  0  0  0  0
 21  2  1  0  0  0  0
  2 18  2  0  0  0  0
 33 40  1  0  0  0  0
 31 39  1  0  0  0  0
  8 25  1  6  0  0  0
  7 24  1  6  0  0  0
  9 26  1  1  0  0  0
  6 23  1  1  0  0  0
  5 22  1  6  0  0  0
 29 14  1  0  0  0  0
 32 40  2  0  0  0  0
 30 39  2  0  0  0  0
 27 12  2  0  0  0  0
 28 14  2  0  0  0  0
 17 16  1  0  0  0  0
M  CHG  3  29  -1  31  -1  33  -1
M  END


  Mrv2104 05272301052D          

 40 43  0  0  0  0            999 V2000
    7.4450    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1910    5.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250    2.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9200    5.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    2.0650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1429    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290    1.2370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3000    2.0650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8580    1.2370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290    2.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9200    4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990    6.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5540    2.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7150    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    2.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750    4.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    5.8930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990    4.3880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    5.6380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    4.5599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9890    1.4020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7850    1.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5720    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1969    6.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150    3.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0620    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0119    1.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090    3.3830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3680    1.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    3.3830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8320    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8840    3.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    2.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100    2.5620    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    2.5620    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 13 21  1  1  0  0  0
  8 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  5  8  1  0  0  0  0
  3  5  1  0  0  0  0
 11 21  1  0  0  0  0
  4 11  2  0  0  0  0
 20 12  1  0  0  0  0
 12  4  1  0  0  0  0
 16 20  1  0  0  0  0
 10 14  1  1  0  0  0
 38 40  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 15  1  0  0  0  0
 36 10  1  0  0  0  0
 36 15  1  0  0  0  0
 35 13  1  0  0  0  0
 35  3  1  0  0  0  0
 34 39  1  0  0  0  0
 11 19  1  0  0  0  0
 19 16  2  0  0  0  0
 18  4  1  0  0  0  0
  3  1  1  1  0  0  0
  1 34  1  0  0  0  0
 21  2  1  0  0  0  0
  2 18  2  0  0  0  0
 33 40  1  0  0  0  0
 31 39  1  0  0  0  0
  8 25  1  6  0  0  0
  7 24  1  6  0  0  0
  9 26  1  1  0  0  0
  6 23  1  1  0  0  0
  5 22  1  6  0  0  0
 29 14  1  0  0  0  0
 32 40  2  0  0  0  0
 30 39  2  0  0  0  0
 27 12  2  0  0  0  0
 28 14  2  0  0  0  0
 17 16  1  0  0  0  0
M  CHG  3  29  -1  31  -1  33  -1
M  END
> <DATABASE_ID>
NP0339580

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)C([O-])=O)[C@@H](O)[C@H]2O)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/p-3/t3-,5-,6+,7+,8-,9+,10+,13-,15?/s2

> <INCHI_KEY>
DNBSDUDYNPJVCN-HJDOJWJINA-K

> <FORMULA>
C16H20N5O17P2

> <MOLECULAR_WEIGHT>
616.303

> <EXACT_MASS>
616.03458894

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
50.09292833438196

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5S)-6-{[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate

> <JCHEM_LOGP>
-4.967309594999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.9123368793425857

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7164005662109842

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7320127240313705

> <JCHEM_POLAR_SURFACE_AREA>
352.99

> <JCHEM_REFRACTIVITY>
126.97239999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
gdp-D-mannuronate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-23         0                                  
HETATM    1  C   UNK     0      13.897   5.800   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      19.023   9.742   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.353   5.320   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.651  10.524   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.818   3.855   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   2.309   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.360   3.855   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   2.309   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   3.849   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.651   8.975   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.305  11.291   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.834   5.320   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.335   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   3.849   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.978   8.975   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      12.647   8.215   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      18.125  11.000   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      15.305   8.191   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0      13.978  10.524   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0      18.122   8.512   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0      14.913   2.617   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.000   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.335   1.540   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      18.265   2.608   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       6.668   1.540   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      15.301  12.824   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.335   6.158   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000   3.849   0.000  0.00  0.00           O-1
HETATM   30  O   UNK     0      11.222   3.250   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      11.217   6.315   0.000  0.00  0.00           O-1
HETATM   32  O   UNK     0       8.154   3.250   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.154   6.315   0.000  0.00  0.00           O-1
HETATM   34  O   UNK     0      12.753   4.779   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      16.583   6.212   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.000   4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       6.625   4.779   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       9.688   4.782   0.000  0.00  0.00           O+0
HETATM   39  P   UNK     0      11.219   4.782   0.000  0.00  0.00           P+0
HETATM   40  P   UNK     0       8.154   4.782   0.000  0.00  0.00           P+0
CONECT    1    3   34                                                       
CONECT    2   21   18                                                       
CONECT    3    5   35    1                                                  
CONECT    4   11   12   18                                                  
CONECT    5    8    3   22                                                  
CONECT    6    7    9   23                                                  
CONECT    7   10    6   24                                                  
CONECT    8   13    5   25                                                  
CONECT    9   15    6   26                                                  
CONECT   10    7   14   36                                                  
CONECT   11   21    4   19                                                  
CONECT   12   20    4   27                                                  
CONECT   13   21    8   35                                                  
CONECT   14   10   29   28                                                  
CONECT   15    9   37   36                                                  
CONECT   16   20   19   17                                                  
CONECT   17   16                                                            
CONECT   18    4    2                                                       
CONECT   19   11   16                                                       
CONECT   20   12   16                                                       
CONECT   21   13   11    2                                                  
CONECT   22    5                                                            
CONECT   23    6                                                            
CONECT   24    7                                                            
CONECT   25    8                                                            
CONECT   26    9                                                            
CONECT   27   12                                                            
CONECT   28   14                                                            
CONECT   29   14                                                            
CONECT   30   39                                                            
CONECT   31   39                                                            
CONECT   32   40                                                            
CONECT   33   40                                                            
CONECT   34   39    1                                                       
CONECT   35   13    3                                                       
CONECT   36   10   15                                                       
CONECT   37   40   15                                                       
CONECT   38   40   39                                                       
CONECT   39   38   34   31   30                                             
CONECT   40   38   37   33   32                                             
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
GDP-Mannuronic acid	Generator

Chemical Formula

C₁₆H₂₀N₅O₁₇P₂

Average Mass

616.3030 Da

Monoisotopic Mass

616.03459 Da

IUPAC Name

(2S,3S,4S,5S)-6-{[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate

Traditional Name

gdp-D-mannuronate

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)C([O-])=O)[C@@H](O)[C@H]2O)C(=O)N1

InChI Identifier

InChI=1/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/p-3/t3-,5-,6+,7+,8-,9+,10+,13-,15?/s2

InChI Key

DNBSDUDYNPJVCN-HJDOJWJINA-K

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine nucleotide sugars

Direct Parent

Purine nucleotide sugars

Alternative Parents

Substituents

Purine nucleotide sugar
Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glucuronic acid or derivatives
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Organic pyrophosphate
Imidazopyrimidine
Purine
Beta-hydroxy acid
Aminopyrimidine
Pyrimidone
Hydroxy acid
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Alkyl phosphate
Oxane
Phosphoric acid ester
Pyrimidine
Pyran
Tetrahydrofuran
Vinylogous amide
Imidazole
Azole
Heteroaromatic compound
Secondary alcohol
Amino acid or derivatives
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Polyol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Amine
Alcohol
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic oxygen compound
Organopnictogen compound
Primary amine
Organic oxide
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

nucleotide-sugar oxoanion (CHEBI:17466 )

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	ChemAxon
pKa (Strongest Acidic)	1.72	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	352.99 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	126.97 m³·mol⁻¹	ChemAxon
Polarizability	50.09 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hulen C: The GDP-Mannose Dehydrogenase of Pseudomonas aeruginosa: An Old and New Target to Fight against Antibiotics Resistance of Mucoid Strains. Antibiotics (Basel). 2023 Nov 22;12(12):1649. doi: 10.3390/antibiotics12121649. [PubMed:38136683 ]

Showing NP-Card for GDP-mannuronate (NP0339580)

MOL for NP0339580 (GDP-mannuronate)

3D MOL for NP0339580 (GDP-mannuronate)

3D SDF for NP0339580 (GDP-mannuronate)

3D-SDF for NP0339580 (GDP-mannuronate)

PDB for NP0339580 (GDP-mannuronate)

3D PDB for NP0339580 (GDP-mannuronate)

SMILES for NP0339580 (GDP-mannuronate)

INCHI for NP0339580 (GDP-mannuronate)

Structure for NP0339580 (GDP-mannuronate)

3D Structure for NP0339580 (GDP-mannuronate)