Np mrd loader

Showing NP-Card for ppGpp (NP0339938)

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Record Information
Version2.0
Created at2024-09-12 00:20:28 UTC
Updated at2024-09-12 00:20:28 UTC
NP-MRD IDNP0339938
Secondary Accession NumbersNone
Natural Product Identification
Common NameppGpp
DescriptionPpGpp belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. ppGpp was first documented in 2024 (PMID: 39287429). Based on a literature review a significant number of articles have been published on ppGpp (PMID: 39252595) (PMID: 39241998) (PMID: 39188315) (PMID: 39120961) (PMID: 39119257) (PMID: 39107302).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0339938 (ppGpp)


  Mrv2104 05272302522D          

 36 38  0  0  0  0            999 V2000
   -0.5683   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -4.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -5.0203    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -5.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -4.3528    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8169   -5.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -6.3257    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -7.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -6.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -6.4119    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0992   -3.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -4.8826    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347   -5.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0264   -4.3306    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1998   -5.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -6.2416    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2213   -6.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -6.4131    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8567   -7.0486    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 11 16  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 35 36  1  0  0  0  0
 29 36  2  0  0  0  0
 26 36  1  0  0  0  0
M  CHG  5   5  -1  10  -1  20  -1  24  -1  25  -1
M  END
Download

3D MOL for NP0339938 (ppGpp)

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3D SDF for NP0339938 (ppGpp)

  Mrv2104 05272302522D          

 36 38  0  0  0  0            999 V2000
   -0.5683   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -4.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -5.0203    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -5.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -4.3528    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8169   -5.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -6.3257    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -7.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -6.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -6.4119    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0992   -3.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -4.8826    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347   -5.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0264   -4.3306    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1998   -5.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -6.2416    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2213   -6.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -6.4131    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8567   -7.0486    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 11 16  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 35 36  1  0  0  0  0
 29 36  2  0  0  0  0
 26 36  1  0  0  0  0
M  CHG  5   5  -1  10  -1  20  -1  24  -1  25  -1
M  END
> <DATABASE_ID>
NP0339938

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=NC2=C(N=CN2C2OC(COP([O-])(=O)OP(O)([O-])=O)C(OP([O-])(=O)OP([O-])([O-])=O)C2O)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/p-5

> <INCHI_KEY>
BUFLLCUFNHESEH-UHFFFAOYNA-I

> <FORMULA>
C10H12N5O17P4

> <MOLECULAR_WEIGHT>
598.122

> <EXACT_MASS>
597.920609838

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
42.855808431253514

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
-5

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-({[(hydrogen phosphonatooxy)(oxido)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl phosphonato]oxy}phosphonate

> <JCHEM_LOGP>
-3.7969472166666662

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-5

> <JCHEM_PKA>
2.032964542761241

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.461487489512298

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8702721102898114

> <JCHEM_POLAR_SURFACE_AREA>
355.4899999999999

> <JCHEM_REFRACTIVITY>
102.5042

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-({[hydrogen phosphonatooxy(oxido)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl phosphonato]oxyphosphonate

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0339938 (ppGpp)
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PDB for NP0339938 (ppGpp)
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      -1.061  -6.934   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.900  -8.466   0.000  0.00  0.00           O+0
HETATM    3  P   UNK     0      -2.146  -9.371   0.000  0.00  0.00           P+0
HETATM    4  O   UNK     0      -1.241 -10.617   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -3.051  -8.125   0.000  0.00  0.00           O-1
HETATM    6  O   UNK     0      -3.392 -10.276   0.000  0.00  0.00           O+0
HETATM    7  P   UNK     0      -3.231 -11.808   0.000  0.00  0.00           P+0
HETATM    8  O   UNK     0      -3.070 -13.339   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -1.699 -11.647   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -4.762 -11.969   0.000  0.00  0.00           O-1
HETATM   11  C   UNK     0       0.185  -6.029   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.185  -4.489   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.555  -5.259   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.095  -5.259   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.650  -6.505   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.126  -7.970   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0       1.095  -9.114   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0       0.065 -10.259   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.049  -8.084   0.000  0.00  0.00           O-1
HETATM   21  O   UNK     0       2.240 -10.145   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0       1.919 -11.651   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0       0.413 -11.331   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.426 -11.971   0.000  0.00  0.00           O-1
HETATM   25  O   UNK     0       1.599 -13.157   0.000  0.00  0.00           O-1
HETATM   26  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.924   1.777   0.000  0.00  0.00           O+0
HETATM   32  N   UNK     0       6.258  -0.533   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       7.591  -2.843   0.000  0.00  0.00           N+0
HETATM   35  N   UNK     0       4.924  -2.843   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2   11                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7                                                            
CONECT   11    1   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   26                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   11                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22                                                            
CONECT   26   13   27   36                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   36                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   29   26                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

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3D PDB for NP0339938 (ppGpp)
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SMILES for NP0339938 (ppGpp)
NC1=NC2=C(N=CN2C2OC(COP([O-])(=O)OP(O)([O-])=O)C(OP([O-])(=O)OP([O-])([O-])=O)C2O)C(=O)N1
Download
INCHI for NP0339938 (ppGpp)
InChI=1/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/p-5
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View in JSmol
SynonymsNot Available
Chemical FormulaC10H12N5O17P4
Average Mass598.1220 Da
Monoisotopic Mass597.92061 Da
IUPAC Name{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-({[(hydrogen phosphonatooxy)(oxido)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl phosphonato]oxy}phosphonate
Traditional Name[5-(2-amino-6-oxo-1H-purin-9-yl)-2-({[hydrogen phosphonatooxy(oxido)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl phosphonato]oxyphosphonate
CAS Registry NumberNot Available
SMILES
NC1=NC2=C(N=CN2C2OC(COP([O-])(=O)OP(O)([O-])=O)C(OP([O-])(=O)OP([O-])([O-])=O)C2O)C(=O)N1
InChI Identifier
InChI=1/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/p-5
InChI KeyBUFLLCUFNHESEH-UHFFFAOYNA-I
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
KingdomOrganic compounds  
Super ClassNucleosides, nucleotides, and analogues  
ClassPurine nucleotides  
Sub ClassPurine ribonucleotides  
Direct ParentPurine ribonucleoside diphosphates  
Alternative Parents
Substituents
  • Purine ribonucleoside 3',5'-bisphosphate
    • 

  • Purine ribonucleoside bisphosphate
    • 

  • Purine ribonucleoside diphosphate
    • 

  • Pentose phosphate
    • 

  • Pentose-5-phosphate
    • 

  • Ribonucleoside 3'-phosphate
    • 

  • Glycosyl compound
    • 

  • N-glycosyl compound
    • 

  • Organic pyrophosphate
    • 

  • 6-oxopurine
    • 

  • Hypoxanthine
    • 

  • Monosaccharide phosphate
    • 

  • Purine
    • 

  • Imidazopyrimidine
    • 

  • Pyrimidone
    • 

  • Aminopyrimidine
    • 

  • Alkyl phosphate
    • 

  • Monosaccharide
    • 

  • Pyrimidine
    • 

  • Organic phosphoric acid derivative
    • 

  • N-substituted imidazole
    • 

  • Phosphoric acid ester
    • 

  • Tetrahydrofuran
    • 

  • Heteroaromatic compound
    • 

  • Azole
    • 

  • Vinylogous amide
    • 

  • Imidazole
    • 

  • Lactam
    • 

  • Secondary alcohol
    • 

  • Organoheterocyclic compound
    • 

  • Azacycle
    • 

  • Oxacycle
    • 

  • Primary amine
    • 

  • Alcohol
    • 

  • Organic nitrogen compound
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Organopnictogen compound
    • 

  • Organic oxygen compound
    • 

  • Amine
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Organic anion
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3.8ChemAxon
pKa (Strongest Acidic)1.46ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-5ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area355.49 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity102.5 m³·mol⁻¹ChemAxon
Polarizability42.86 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGuanosine pentaphosphate  
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Kviatkovski I, Zhong Q, Vaidya S, Grundling A: Identification of novel genetic factors that regulate c-di-AMP production in Staphylococcus aureus using a riboswitch-based biosensor. mSphere. 2024 Sep 17:e0032124. doi: 10.1128/msphere.00321-24. [PubMed:39287429  ] 
  2. Witte CP, Herde M: Nucleotides and nucleotide derivatives as signal molecules in plants. J Exp Bot. 2024 Sep 10:erae377. doi: 10.1093/jxb/erae377. [PubMed:39252595  ] 
  3. K M K, N U, S K: Conformational dynamics and ribosomal interactions of Bacillus subtilis Obg in various nucleotide-bound states: Insights from molecular dynamics simulation. Int J Biol Macromol. 2024 Sep 4;279(Pt 3):135337. doi:  10.1016/j.ijbiomac.2024.135337. [PubMed:39241998  ] 
  4. Kim NK, Baek JE, Lee YJ, Oh Y, Oh JI: Rel-dependent decrease in the expression of ribosomal protein genes by inhibition of the respiratory electron transport chain in Mycobacterium smegmatis. Front Microbiol. 2024 Aug 12;15:1448277. doi: 10.3389/fmicb.2024.1448277.  eCollection 2024. [PubMed:39188315  ] 
  5. Liao C, Priyanka P, Lai YH, Rao CV, Lu T: How Does Escherichia coli Allocate Proteome? ACS Synth Biol. 2024 Sep 20;13(9):2718-2732. doi: 10.1021/acssynbio.3c00537. Epub  2024 Aug 9. [PubMed:39120961  ] 
  6. Schicketanz M, Petrova M, Rejman D, Sosio M, Donadio S, Zhang YE: Direct detection of stringent alarmones (pp)pGpp using malachite green. Microb Cell. 2024 Aug 5;11:312-320. doi: 10.15698/mic2024.08.834. eCollection  2024. [PubMed:39119257  ] 
  7. Bulvas O, Knejzlik Z, Sys J, Filimonenko A, Cizkova M, Clarova K, Rejman D, Kouba T, Pichova I: Deciphering the allosteric regulation of mycobacterial inosine-5'-monophosphate dehydrogenase. Nat Commun. 2024 Aug 6;15(1):6673. doi: 10.1038/s41467-024-50933-6. [PubMed:39107302  ] 
  8. Urwin L, Savva O, Corrigan RM: Microbial Primer: what is the stringent response and how does it allow bacteria to survive stress? Microbiology (Reading). 2024 Jul;170(7):001483. doi: 10.1099/mic.0.001483. [PubMed:39078282  ] 
  9. Wong BC, Law SKK, Md Zoqratt MZH, Ayub Q, Tan HS: Adaptation of a fluoroquinolone-sensitive Shigella sonnei to norfloxacin exposure. R Soc Open Sci. 2024 Jun 19;11(6):232025. doi: 10.1098/rsos.232025. eCollection  2024 Jun. [PubMed:39100177  ] 
  10. Liu X, Hu J, Wang W, Yang H, Tao E, Ma Y, Sha S: Mycobacterial Biofilm: Mechanisms, Clinical Problems, and Treatments. Int J Mol Sci. 2024 Jul 16;25(14):7771. doi: 10.3390/ijms25147771. [PubMed:39063012  ]