NP-MRD: Showing NP-Card for UDP-N-acetylmuraminate (NP0334799)

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Record Information

Version

2.0

Created at

2024-09-10 20:01:00 UTC

Updated at

2024-09-10 20:01:00 UTC

NP-MRD ID

NP0334799

Secondary Accession Numbers

None

Natural Product Identification

Common Name

UDP-N-acetylmuraminate

Description

UDP-N-acetylmuraminate is also known as UDP-N-acetylmuraminic acid. UDP-N-acetylmuraminate was first documented in 2022 (PMID: 36557849). Based on a literature review very few articles have been published on UDP-N-acetylmuraminate.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05252322332D          

 44 46  0  0  0  0            999 V2000
   11.1627  -11.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877  -11.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002  -11.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877  -12.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2252  -11.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002  -10.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877   -9.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627   -9.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7502   -9.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627   -8.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877   -8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002   -9.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2252   -9.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002   -7.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2252   -7.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9251   -9.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126   -8.3032    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2271   -7.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7982   -8.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1001   -7.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126   -6.8742    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2271   -7.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7982   -6.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9251   -6.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7502   -6.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627   -5.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8271   -4.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4402   -4.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1547   -4.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831   -5.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9084   -4.2165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9946   -3.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7483   -3.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4157   -3.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1694   -3.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3295   -4.3658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5758   -4.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4896   -5.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3540   -3.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0201   -4.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7502  -10.4466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9251  -10.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126   -9.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126  -11.1610    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
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 40  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  END


  Mrv2104 05252322332D          

 44 46  0  0  0  0            999 V2000
   11.1627  -11.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877  -11.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002  -11.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877  -12.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2252  -11.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002  -10.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877   -9.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627   -9.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7502   -9.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627   -8.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9877   -8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002   -9.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2252   -9.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002   -7.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2252   -7.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9251   -9.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126   -8.3032    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2271   -7.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7982   -8.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1001   -7.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126   -6.8742    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2271   -7.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7982   -6.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9251   -6.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7502   -6.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1627   -5.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8271   -4.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4402   -4.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1547   -4.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831   -5.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9084   -4.2165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9946   -3.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7483   -3.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4157   -3.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1694   -3.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3295   -4.3658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5758   -4.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4896   -5.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3540   -3.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0201   -4.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7502  -10.4466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9251  -10.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126   -9.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126  -11.1610    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
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 40  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0334799

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(OC1C(O)C(CO)OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C1NC(C)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)

> <INCHI_KEY>
NQBRVZNDBBMBLJ-UHFFFAOYNA-N

> <FORMULA>
C20H31N3O19P2

> <MOLECULAR_WEIGHT>
679.418

> <EXACT_MASS>
679.102699786

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
58.15303848001768

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[2-({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid

> <JCHEM_LOGP>
-4.594769218000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.0585130610830435

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7314841689009461

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6391198642189058

> <JCHEM_POLAR_SURFACE_AREA>
326.71

> <JCHEM_REFRACTIVITY>
132.88679999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
udp-N-acetylmuraminate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAY-23         0                                  
HETATM    1  C   UNK     0      20.837 -20.834   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.377 -20.834   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.147 -22.168   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      22.377 -23.501   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      24.687 -22.168   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      23.147 -19.500   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      22.377 -18.167   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      20.837 -18.167   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      20.067 -16.833   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      20.837 -15.499   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      22.377 -15.499   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      23.147 -16.833   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      24.687 -16.833   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      23.147 -14.165   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      24.687 -14.165   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      18.527 -16.833   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      17.757 -15.499   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      19.091 -14.729   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      16.423 -16.269   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      16.987 -14.165   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0      17.757 -12.832   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      19.091 -13.602   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      16.423 -12.062   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      18.527 -11.498   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      20.067 -11.498   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.837 -10.164   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.211  -8.758   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      21.355  -7.727   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      22.689  -8.497   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      22.368 -10.003   0.000  0.00  0.00           O+0
HETATM   31  N   UNK     0      24.096  -7.871   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      24.257  -6.339   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      25.663  -5.713   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      26.909  -6.618   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      28.316  -5.992   0.000  0.00  0.00           O+0
HETATM   36  N   UNK     0      26.748  -8.149   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      25.341  -8.776   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      25.181 -10.307   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      21.194  -6.195   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      18.704  -8.437   0.000  0.00  0.00           O+0
HETATM   41  N   UNK     0      20.067 -19.500   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      18.527 -19.500   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      17.757 -18.167   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      17.757 -20.834   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9   41                                                  
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12    7   11   13                                                  
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14                                                            
CONECT   16    9   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28   40                                                  
CONECT   28   27   29   39                                                  
CONECT   29   28   30   31                                                  
CONECT   30   26   29                                                       
CONECT   31   29   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   31   36   38                                                  
CONECT   38   37                                                            
CONECT   39   28                                                            
CONECT   40   27                                                            
CONECT   41    8   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   92    0
END

View in JSmol

Synonyms

Value	Source
UDP-N-Acetylmuraminic acid	Generator

Chemical Formula

C₂₀H₃₁N₃O₁₉P₂

Average Mass

679.4180 Da

Monoisotopic Mass

679.10270 Da

IUPAC Name

2-{[2-({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid

Traditional Name

udp-N-acetylmuraminate

CAS Registry Number

Not Available

SMILES

CC(OC1C(O)C(CO)OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C1NC(C)=O)C(O)=O

InChI Identifier

InChI=1/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)

InChI Key

NQBRVZNDBBMBLJ-UHFFFAOYNA-N

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 pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside diphosphate
Muramic_acid
Pentose phosphate
Pentose-5-phosphate
N-acyl-alpha-hexosamine
Glycosyl compound
N-glycosyl compound
Organic pyrophosphate
Monosaccharide phosphate
Pyrimidone
Monoalkyl phosphate
Sugar acid
Oxane
Hydropyrimidine
Phosphoric acid ester
Organic phosphoric acid derivative
Monosaccharide
Pyrimidine
Alkyl phosphate
Acetamide
Vinylogous amide
Heteroaromatic compound
Tetrahydrofuran
Lactam
Carboxamide group
Secondary alcohol
Secondary carboxylic acid amide
Urea
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic nitrogen compound
Primary alcohol
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-4.6	ChemAxon
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	326.71 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	132.89 m³·mol⁻¹	ChemAxon
Polarizability	58.15 Å³	ChemAxon
Number of Rings	3	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

Yan M, Li X, Sun C, Tan J, Liu Y, Li M, Qi Z, He J, Wang D, Wu L: Sodium Butyrate Attenuates AGEs-Induced Oxidative Stress and Inflammation by Inhibiting Autophagy and Affecting Cellular Metabolism in THP-1 Cells. Molecules. 2022 Dec 9;27(24):8715. doi: 10.3390/molecules27248715. [PubMed:36557849 ]

Showing NP-Card for UDP-N-acetylmuraminate (NP0334799)

MOL for NP0334799 (UDP-N-acetylmuraminate)

3D MOL for NP0334799 (UDP-N-acetylmuraminate)

3D SDF for NP0334799 (UDP-N-acetylmuraminate)

3D-SDF for NP0334799 (UDP-N-acetylmuraminate)

PDB for NP0334799 (UDP-N-acetylmuraminate)

3D PDB for NP0334799 (UDP-N-acetylmuraminate)

SMILES for NP0334799 (UDP-N-acetylmuraminate)

INCHI for NP0334799 (UDP-N-acetylmuraminate)

Structure for NP0334799 (UDP-N-acetylmuraminate)

3D Structure for NP0334799 (UDP-N-acetylmuraminate)