Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:39:02 UTC

HMDB ID

HMDB0001271

Secondary Accession Numbers

HMDB01271

Metabolite Identification

Common Name

Pseudouridine 5'-phosphate

Description

Pseudouridine (5-ribosyluracil) is a ubiquitous yet enigmatic constituent of structural RNAs (transfer, ribosomal, small nuclear, and small nucleolar). Although pseudouridine (psi) was the first modified nucleoside to be discovered in RNA, and is the most abundant, its biosynthesis and biological roles have remained poorly understood since its identification as a "fifth nucleoside" in RNA. Recently, a combination of biochemical, biophysical, and genetic approaches has helped to illuminate the structural consequences of psi in polyribonucleotides, the biochemical mechanism of U-->psi isomerization in RNA, and the role of modification enzymes (psi synthases) and box H/ACA snoRNAs, a class of eukaryotic small nucleolar RNAs, in the site-specific biosynthesis of psi. Through its unique ability to coordinate a structural water molecule via its free N1-H, psi exerts a subtle but significant "rigidifying" influence on the nearby sugar-phosphate backbone and also enhances base stacking. These effects may underlie the biological role of most (but perhaps not all) of the psi residues in RNA. Certain genetic mutants lacking specific psi residues in tRNA or rRNA exhibit difficulties in translation, display slow growth rates, and fail to compete effectively with wild-type strains in mixed culture. In particular, normal growth is severely compromised in an Escherichia coli mutant deficient in a pseudouridine synthase responsible for the formation of three closely spaced psi residues in the mRNA decoding region of the 23S rRNA. Such studies demonstrate that pseudouridylation of RNA confers an important selective advantage in a natural biological context. PMID: 10902565 .

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001271
     RDKit          3D
Pseudouridine 5'-phosphate
 34 35  0  0  0  0  0  0  0  0999 V2000
   -4.4828    2.7658   -1.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232    1.9334   -1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    0.7802   -1.6562 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -0.1292   -1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947    0.1098    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197   -0.7730    0.9689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0032   -0.1245    1.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -0.8725    0.5504 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0262   -0.1033   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    0.8063    0.6589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066    1.6390   -0.2652 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3778    1.7292   -1.6941 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2715    0.8035   -0.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805    3.1780    0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264   -1.8664   -0.4060 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1023   -2.9945   -0.5087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9651   -2.1029    0.3541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6532   -3.0083    1.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    1.3142    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374    1.6138    1.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480    2.2030    0.1869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    0.6041   -2.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3307   -1.0490   -1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.8985    1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5083   -1.4107    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -0.8279   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949    0.4513   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373   -0.1755   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331    3.1338    1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1574   -1.4024   -1.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307   -3.2832    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7653   -2.5145   -0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051   -2.6404    2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5305    3.1112    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  8 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 17  6  1  0
  3 22  1  0
  4 23  1  0
  6 24  1  1
  8 25  1  1
  9 26  1  0
  9 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  6
 16 31  1  0
 17 32  1  6
 18 33  1  0
 21 34  1  0
M  END


  Mrv1652304282021312D          

 21 22  0  0  0  0            999 V2000
10000.906010001.5423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.120010001.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.6112 9999.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6591 9998.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.898210000.1057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1853 9999.6953    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.5096 9998.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5979 9998.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.470310000.1078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7747 9998.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9946 9999.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.662010000.0963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.407110000.8809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.582110000.8809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.327210000.0963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10002.084710000.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3702 9999.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3702 9998.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.0847 9998.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.7992 9998.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.7992 9999.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  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
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 13  1  1  1  0  0  0
 14  2  1  1  0  0  0
 15  3  1  6  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
 16 21  1  0  0  0  0
 20 21  1  0  0  0  0
 12 17  1  6  0  0  0
 18  4  2  0  0  0  0
 20  7  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001271

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1

> <INCHI_KEY>
MOBMOJGXNHLLIR-GBNDHIKLSA-N

> <FORMULA>
C9H13N2O9P

> <MOLECULAR_WEIGHT>
324.1813

> <EXACT_MASS>
324.035866536

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
26.315367273298467

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.86

> <JCHEM_LOGP>
-3.2237138943333337

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.253241023189858

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2291145458274322

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648940885134036

> <JCHEM_POLAR_SURFACE_AREA>
174.64999999999998

> <JCHEM_REFRACTIVITY>
63.3139

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.51e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pseudouridine 5'-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001271
     RDKit          3D
Pseudouridine 5'-phosphate
 34 35  0  0  0  0  0  0  0  0999 V2000
   -4.4828    2.7658   -1.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232    1.9334   -1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    0.7802   -1.6562 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -0.1292   -1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947    0.1098    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197   -0.7730    0.9689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0032   -0.1245    1.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -0.8725    0.5504 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0262   -0.1033   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    0.8063    0.6589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066    1.6390   -0.2652 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3778    1.7292   -1.6941 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2715    0.8035   -0.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805    3.1780    0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264   -1.8664   -0.4060 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1023   -2.9945   -0.5087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9651   -2.1029    0.3541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6532   -3.0083    1.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    1.3142    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374    1.6138    1.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480    2.2030    0.1869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    0.6041   -2.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3307   -1.0490   -1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.8985    1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5083   -1.4107    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -0.8279   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949    0.4513   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373   -0.1755   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331    3.1338    1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1574   -1.4024   -1.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307   -3.2832    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7653   -2.5145   -0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051   -2.6404    2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5305    3.1112    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  8 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 17  6  1  0
  3 22  1  0
  4 23  1  0
  6 24  1  1
  8 25  1  1
  9 26  1  0
  9 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  6
 16 31  1  0
 17 32  1  6
 18 33  1  0
 21 34  1  0
M  END

HEADER    PROTEIN                                 28-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-20         0                                  
HETATM    1  O   UNK     0    8668.3588669.546   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8665.0248669.561   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8664.0748666.098   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8667.8978663.791   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8662.7438666.864   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0    8661.4138666.098   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0    8673.2188663.791   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8662.1838664.767   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8660.0788666.868   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8660.6468664.767   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8666.6578665.941   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8667.9028666.846   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8667.4278668.311   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8665.8878668.311   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8665.4118666.846   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8670.5588666.869   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8669.2248666.099   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8669.2248664.559   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    8670.5588663.789   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0    8671.8928664.559   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0    8671.8928666.099   0.000  0.00  0.00           N+0
CONECT    1   13                                                            
CONECT    2   14                                                            
CONECT    3    5   15                                                       
CONECT    4   18                                                            
CONECT    5    3    6                                                       
CONECT    6    5    8    9   10                                             
CONECT    7   20                                                            
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11   12   15                                                       
CONECT   12   13   11   17                                                  
CONECT   13   12   14    1                                                  
CONECT   14   13   15    2                                                  
CONECT   15   14   11    3                                                  
CONECT   16   17   21                                                       
CONECT   17   16   18   12                                                  
CONECT   18   17   19    4                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21    7                                                  
CONECT   21   16   20                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

COMPND    HMDB0001271
HETATM    1  O1  UNL     1      -4.483   2.766  -1.649  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.723   1.933  -1.048  1.00  0.00           C  
HETATM    3  N1  UNL     1      -3.398   0.780  -1.656  1.00  0.00           N  
HETATM    4  C2  UNL     1      -2.597  -0.129  -1.058  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.095   0.110   0.197  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.220  -0.773   0.969  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.003  -0.124   1.114  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.993  -0.873   0.550  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.026  -0.103  -0.212  1.00  0.00           C  
HETATM   10  O3  UNL     1       2.651   0.806   0.659  1.00  0.00           O  
HETATM   11  P1  UNL     1       3.807   1.639  -0.265  1.00  0.00           P  
HETATM   12  O4  UNL     1       3.378   1.729  -1.694  1.00  0.00           O  
HETATM   13  O5  UNL     1       5.271   0.803  -0.151  1.00  0.00           O  
HETATM   14  O6  UNL     1       3.980   3.178   0.371  1.00  0.00           O  
HETATM   15  C7  UNL     1       0.326  -1.866  -0.406  1.00  0.00           C  
HETATM   16  O7  UNL     1       1.102  -2.995  -0.509  1.00  0.00           O  
HETATM   17  C8  UNL     1      -0.965  -2.103   0.354  1.00  0.00           C  
HETATM   18  O8  UNL     1      -0.653  -3.008   1.388  1.00  0.00           O  
HETATM   19  C9  UNL     1      -2.456   1.314   0.791  1.00  0.00           C  
HETATM   20  O9  UNL     1      -2.037   1.614   1.947  1.00  0.00           O  
HETATM   21  N2  UNL     1      -3.248   2.203   0.187  1.00  0.00           N  
HETATM   22  H1  UNL     1      -3.779   0.604  -2.607  1.00  0.00           H  
HETATM   23  H2  UNL     1      -2.331  -1.049  -1.533  1.00  0.00           H  
HETATM   24  H3  UNL     1      -1.669  -0.898   1.983  1.00  0.00           H  
HETATM   25  H4  UNL     1       1.508  -1.411   1.374  1.00  0.00           H  
HETATM   26  H5  UNL     1       2.751  -0.828  -0.625  1.00  0.00           H  
HETATM   27  H6  UNL     1       1.595   0.451  -1.074  1.00  0.00           H  
HETATM   28  H7  UNL     1       5.137  -0.176  -0.115  1.00  0.00           H  
HETATM   29  H8  UNL     1       3.833   3.134   1.356  1.00  0.00           H  
HETATM   30  H9  UNL     1       0.157  -1.402  -1.383  1.00  0.00           H  
HETATM   31  H10 UNL     1       1.431  -3.283   0.377  1.00  0.00           H  
HETATM   32  H11 UNL     1      -1.765  -2.515  -0.251  1.00  0.00           H  
HETATM   33  H12 UNL     1       0.005  -2.640   2.002  1.00  0.00           H  
HETATM   34  H13 UNL     1      -3.531   3.111   0.614  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   21
CONECT    3    4   22
CONECT    4    5    5   23
CONECT    5    6   19
CONECT    6    7   17   24
CONECT    7    8
CONECT    8    9   15   25
CONECT    9   10   26   27
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   28
CONECT   14   29
CONECT   15   16   17   30
CONECT   16   31
CONECT   17   18   32
CONECT   18   33
CONECT   19   20   20   21
CONECT   21   34
END

HMDB0001271
     RDKit          3D
Pseudouridine 5'-phosphate
 34 35  0  0  0  0  0  0  0  0999 V2000
   -4.4828    2.7658   -1.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232    1.9334   -1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    0.7802   -1.6562 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -0.1292   -1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947    0.1098    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197   -0.7730    0.9689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0032   -0.1245    1.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -0.8725    0.5504 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0262   -0.1033   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    0.8063    0.6589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066    1.6390   -0.2652 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3778    1.7292   -1.6941 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2715    0.8035   -0.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805    3.1780    0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264   -1.8664   -0.4060 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1023   -2.9945   -0.5087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9651   -2.1029    0.3541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6532   -3.0083    1.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    1.3142    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374    1.6138    1.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480    2.2030    0.1869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    0.6041   -2.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3307   -1.0490   -1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.8985    1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5083   -1.4107    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -0.8279   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949    0.4513   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373   -0.1755   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331    3.1338    1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1574   -1.4024   -1.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307   -3.2832    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7653   -2.5145   -0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051   -2.6404    2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5305    3.1112    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  8 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 17  6  1  0
  3 22  1  0
  4 23  1  0
  6 24  1  1
  8 25  1  1
  9 26  1  0
  9 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  6
 16 31  1  0
 17 32  1  6
 18 33  1  0
 21 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(1S)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol	ChEBI
5-(5-O-Phosphono-beta-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione	ChEBI
5-(5-O-Phosphono-b-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione	Generator
5-(5-O-Phosphono-β-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione	Generator
Pseudouridine 5'-phosphoric acid	Generator
Pseudouridylic acid	MeSH, HMDB
5-(5-O-Phosphono-beta-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione	HMDB
5-(5-O-Phosphono-β-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione	HMDB
Pseudouridine 5'-phosphate	HMDB
Pseudouridine 5’-phosphate	HMDB
Pseudouridine monophosphate	HMDB

Chemical Formula

C₉H₁₃N₂O₉P

Average Molecular Weight

324.1813

Monoisotopic Molecular Weight

324.035866536

IUPAC Name

{[(2R,3S,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Traditional Name

pseudouridine 5'-phosphate

CAS Registry Number

1157-60-4

SMILES

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O

InChI Identifier

InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1

InChI Key

MOBMOJGXNHLLIR-GBNDHIKLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
C-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Tetrahydrofuran
Vinylogous amide
Heteroaromatic compound
Secondary alcohol
Urea
1,2-diol
Lactam
Dialkyl ether
Azacycle
Ether
Organoheterocyclic compound
Oxacycle
Organonitrogen compound
Alcohol
Organic oxide
Organopnictogen compound
Hydrocarbon derivative
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

C-nucleoside phosphate (CHEBI:18116 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular 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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.51 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-3.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.23	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	174.65 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	63.31 m³·mol⁻¹	ChemAxon
Polarizability	26.32 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	173.418	31661259
DarkChem	[M-H]-	166.713	31661259
AllCCS	[M+H]+	170.07	32859911
AllCCS	[M-H]-	164.163	32859911
DeepCCS	[M+H]+	168.857	30932474
DeepCCS	[M-H]-	166.499	30932474
DeepCCS	[M-2H]-	199.984	30932474
DeepCCS	[M+Na]+	175.213	30932474
AllCCS	[M+H]+	170.1	32859911
AllCCS	[M+H-H2O]+	166.8	32859911
AllCCS	[M+NH4]+	173.1	32859911
AllCCS	[M+Na]+	173.9	32859911
AllCCS	[M-H]-	164.2	32859911
AllCCS	[M+Na-2H]-	164.0	32859911
AllCCS	[M+HCOO]-	163.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Pseudouridine 5'-phosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O	3587.4	Standard polar	33892256
Pseudouridine 5'-phosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O	2089.2	Standard non polar	33892256
Pseudouridine 5'-phosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O	3245.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Pseudouridine 5'-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O	2571.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	2544.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O	2752.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TMS,isomer #4	C[Si](C)(C)N1C=C([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]C1=O	2724.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TMS,isomer #5	C[Si](C)(C)N1C(=O)[NH]C=C([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O	2747.4	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	2479.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O	2824.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #11	C[Si](C)(C)N1C=C([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N([Si](C)(C)C)C1=O	2814.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2690.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O	2673.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	2659.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2668.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	2657.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	2645.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2753.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O	2809.0	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2639.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2946.7	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3723.6	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2736.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2969.8	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	3775.1	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	2757.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	3083.0	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	4252.6	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2827.0	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3013.3	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3661.0	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2799.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2971.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3593.3	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O	2899.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O	3037.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O	3990.7	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	2633.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	3048.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	4117.4	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	2599.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	3027.0	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	4050.0	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2709.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2952.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3488.5	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2777.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3002.3	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3833.3	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2750.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2971.0	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3757.7	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	2773.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	3085.0	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	4240.2	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2707.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2958.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3517.3	Standard polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2766.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	3003.7	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	3849.0	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2690.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2971.4	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3321.1	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2839.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	3027.3	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	3701.5	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2903.0	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3038.4	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3543.8	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2779.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3001.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3603.7	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2741.4	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2975.7	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3482.3	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	2728.3	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	3070.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	3914.5	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2837.4	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3019.7	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3403.0	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2798.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2972.0	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3294.1	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2852.0	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3029.8	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3684.9	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2827.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3020.4	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3430.5	Standard polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2786.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2974.4	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3322.5	Standard polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2841.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2999.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3276.6	Standard polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2809.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2956.1	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3147.8	Standard polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2853.0	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3025.4	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3473.1	Standard polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2925.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3019.3	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3313.8	Standard polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2912.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3019.5	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3341.4	Standard polar	33892256
Pseudouridine 5'-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2944.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2989.5	Standard non polar	33892256
Pseudouridine 5'-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3197.0	Standard polar	33892256
Pseudouridine 5'-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O	2869.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	2838.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O	2998.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C=C([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)[NH]C1=O	3000.3	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(=O)[NH]C=C([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O	2984.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	2990.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O	3250.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N1C=C([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3254.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3158.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O	3171.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	3149.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3136.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	3149.4	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	3127.3	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3188.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O	3272.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3308.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3533.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3900.5	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3404.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3551.2	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3879.1	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	3416.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	3681.7	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O	4234.0	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3471.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3571.5	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3850.9	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3437.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3515.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3765.1	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O	3512.3	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O	3609.3	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O	4063.5	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3346.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3673.2	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4164.9	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3318.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3622.4	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4069.0	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3347.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3502.2	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3731.9	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3447.4	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3605.1	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3958.0	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3415.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3549.1	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3862.0	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	3431.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	3684.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O	4222.8	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3328.0	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3508.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3760.9	Standard polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3434.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3607.5	Standard non polar	33892256
Pseudouridine 5'-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3973.8	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3518.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3641.4	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3625.1	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3689.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3753.0	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3834.7	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3709.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3716.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3755.2	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3634.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3739.2	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3792.7	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3598.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3692.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3694.6	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3605.5	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3802.2	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3967.2	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3662.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3710.1	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3667.9	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3625.3	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3667.3	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3570.1	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3697.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3754.1	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3820.9	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3645.2	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3713.0	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3696.3	Standard polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3605.9	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3665.8	Standard non polar	33892256
Pseudouridine 5'-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3599.3	Standard polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3824.7	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3790.5	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3618.3	Standard polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3787.8	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3749.7	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3521.2	Standard polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3886.6	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3843.9	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3727.5	Standard polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3906.1	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3819.6	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3628.1	Standard polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3894.4	Semi standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3813.5	Standard non polar	33892256
Pseudouridine 5'-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3653.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Pseudouridine 5'-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0092-7921000000-3b484f48c79da75d22b9	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pseudouridine 5'-phosphate GC-MS (2 TMS) - 70eV, Positive	splash10-0zor-5984100000-c1d4654dc77f1a2defc3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pseudouridine 5'-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 10V, Positive-QTOF	splash10-004i-0669000000-0b19df9acf8df54d0c28	2015-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 20V, Positive-QTOF	splash10-004j-4493000000-38400e5991956cb67184	2015-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 40V, Positive-QTOF	splash10-000l-3900000000-ebfc1c181ae3a767f1d5	2015-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 10V, Negative-QTOF	splash10-0096-9022000000-61eca04124385371e070	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 20V, Negative-QTOF	splash10-004l-9000000000-d8f1a9a373cb543c5a50	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-7662d761a5f16134b340	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 10V, Negative-QTOF	splash10-00fr-9007000000-706b8bb8bcb6e1f088ab	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 10V, Positive-QTOF	splash10-004i-0191000000-d8971429f6e3bcedb1b2	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 20V, Positive-QTOF	splash10-056r-0960000000-db21c37dfcf9636eeeb4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pseudouridine 5'-phosphate 40V, Positive-QTOF	splash10-03di-2900000000-8e2c2edc3141326a4fb1	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB03829

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022525

KNApSAcK ID

Not Available

Chemspider ID

388535

KEGG Compound ID

C01168

BioCyc ID

PSEUDOURIDINE-5-P

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439424

PDB ID

Not Available

ChEBI ID

18116

Food Biomarker Ontology

Not Available

VMH ID

M02807

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Charette M, Gray MW: Pseudouridine in RNA: what, where, how, and why. IUBMB Life. 2000 May;49(5):341-51. [PubMed:10902565 ]
Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Showing metabocard for Pseudouridine 5'-phosphate (HMDB0001271)

MOL for HMDB0001271 (Pseudouridine 5'-phosphate)

3D MOL for HMDB0001271 (Pseudouridine 5'-phosphate)

3D SDF for HMDB0001271 (Pseudouridine 5'-phosphate)

3D-SDF for HMDB0001271 (Pseudouridine 5'-phosphate)

PDB for HMDB0001271 (Pseudouridine 5'-phosphate)

3D PDB for HMDB0001271 (Pseudouridine 5'-phosphate)

SMILES for HMDB0001271 (Pseudouridine 5'-phosphate)

INCHI for HMDB0001271 (Pseudouridine 5'-phosphate)

Structure for HMDB0001271 (Pseudouridine 5'-phosphate)

3D Structure for HMDB0001271 (Pseudouridine 5'-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra