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Showing metabocard for Xylulose 5-phosphate (HMDB0000868)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (6) Show 6 proteinsXML
enzymes (6) Show 6 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:46:24 UTC
HMDB IDHMDB0000868
Secondary Accession Numbers
  • HMDB0006212
  • HMDB00868
  • HMDB06212
Metabolite Identification
Common NameXylulose 5-phosphate
DescriptionXylulose 5-phosphate (Xu-5-P) is a metabolite of the hexose monophosphate pathway that activates protein phosphatase 2A to mediate the acute effects of carbohydrate feeding on the glycolytic pathway, as well as the coordinate long-term control of the enzymes required for fatty acid and triglyceride synthesis. Xu-5-P is the signal for the coordinated control of lipogenesis. Feeding carbohydrate causes levels of liver glucose, Glucose-6-phosphate (Glc-6-P), and Fructose-6-phosphate (Fru-6-P) to rise. Elevation of Fru-6-P leads to elevation of Xu-5-P in reactions catalyzed by the near-equilibrium isomerases of the nonoxidative portion of the hexose monophosphate pathway (ribulose 5-phosphate (Ru5P) epimerase [EC 5.1.3.1], ribose 5-phosphate (Rib5P) isomerase [EC 5.3.1.6], transaldolase [EC 2.2.1.2], and transketolase [EC 2.2.1.1]). The elevation of Xu-5-P is the coordinating signal that both acutely activates phosphofructokinase [PFK; EC 2.7.1.11] in glycolysis and promotes the action of the transcription factor carbohydrate responsive element binding protein (ChREBP) to increase transcription of the genes for the enzymes of lipogenesis, the hexose monophosphate shunt, and glycolysis, all of which are required for the de novo synthesis of fat. (PMID 12721358 ).
Structure
Data?1592414394
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000868 (Xylulose 5-phosphate)


  Mrv1652309042000132D          

 14 13  0  0  1  0            999 V2000
    2.9980   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.1434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1414   -1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8559   -3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -2.1434    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5868   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
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3D MOL for HMDB0000868 (Xylulose 5-phosphate)

HMDB0000868
     RDKit          3D
Xylulose 5-phosphate
 25 24  0  0  0  0  0  0  0  0999 V2000
   -1.5545    0.1068   -1.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338    0.0909   -0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355    0.7799   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3315    1.1622    0.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307   -0.6025    0.3562 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8011   -1.9986    0.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205   -0.5253    0.4570 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5786   -1.1651    1.5662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209    0.6383   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7575    0.0326   -0.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3295    0.2134   -0.4692 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1385   -0.5502   -1.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9810    1.6900   -0.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549   -0.7267    0.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0646   -0.1166   -0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    1.5761   -1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7584    0.4990    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9664   -0.3833    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3009   -2.3107   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3523   -1.3545   -0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -0.4520    2.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1227    1.2612   -0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2493    1.2574    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    2.4690   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767   -1.5914    0.7544 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
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  1
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
Download

3D SDF for HMDB0000868 (Xylulose 5-phosphate)


  Mrv1652309042000132D          

 14 13  0  0  1  0            999 V2000
    2.9980   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.1434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1414   -1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8559   -3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -2.1434    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5868   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000868

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1

> <INCHI_KEY>
FNZLKVNUWIIPSJ-RFZPGFLSSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.1098

> <EXACT_MASS>
230.01915384

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
18.05369731874536

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.81

> <JCHEM_LOGP>
-2.7602629813333333

> <ALOGPS_LOGS>
-0.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.504370847667953

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4785529591465414

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3276267100529333

> <JCHEM_POLAR_SURFACE_AREA>
144.52

> <JCHEM_REFRACTIVITY>
42.472199999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.61e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ribulose-5-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000868 (Xylulose 5-phosphate)

HMDB0000868
     RDKit          3D
Xylulose 5-phosphate
 25 24  0  0  0  0  0  0  0  0999 V2000
   -1.5545    0.1068   -1.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338    0.0909   -0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355    0.7799   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3315    1.1622    0.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307   -0.6025    0.3562 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8011   -1.9986    0.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205   -0.5253    0.4570 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5786   -1.1651    1.5662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209    0.6383   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7575    0.0326   -0.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3295    0.2134   -0.4692 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1385   -0.5502   -1.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9810    1.6900   -0.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549   -0.7267    0.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0646   -0.1166   -0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    1.5761   -1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7584    0.4990    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9664   -0.3833    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3009   -2.3107   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3523   -1.3545   -0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -0.4520    2.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1227    1.2612   -0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2493    1.2574    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    2.4690   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767   -1.5914    0.7544 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
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  1
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
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PDB for HMDB0000868 (Xylulose 5-phosphate)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0       5.596  -4.771   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       6.930  -4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.264  -4.771   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.264  -6.311   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.597  -4.001   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.597  -2.461   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      10.931  -4.771   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.931  -6.311   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      12.265  -4.001   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.598  -4.771   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0      14.932  -4.001   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      16.266  -3.231   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      15.702  -5.335   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      14.162  -2.667   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for HMDB0000868 (Xylulose 5-phosphate)

COMPND    HMDB0000868
HETATM    1  O1  UNL     1      -1.554   0.107  -1.869  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.034   0.091  -0.788  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.336   0.780  -0.488  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.331   1.162   0.857  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.431  -0.602   0.356  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.801  -1.999   0.168  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.021  -0.525   0.457  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.579  -1.165   1.566  1.00  0.00           O  
HETATM    9  C5  UNL     1       0.821   0.638  -0.033  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.758   0.033  -0.895  1.00  0.00           O  
HETATM   11  P1  UNL     1       3.329   0.213  -0.469  1.00  0.00           P  
HETATM   12  O6  UNL     1       4.139  -0.550  -1.534  1.00  0.00           O  
HETATM   13  O7  UNL     1       3.981   1.690  -0.240  1.00  0.00           O  
HETATM   14  O8  UNL     1       3.555  -0.727   1.000  1.00  0.00           O  
HETATM   15  H1  UNL     1      -4.065  -0.117  -0.561  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.587   1.576  -1.169  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.758   0.499   1.426  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.966  -0.383   1.334  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.301  -2.311  -0.626  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.352  -1.355  -0.368  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.903  -0.452   2.213  1.00  0.00           H  
HETATM   22  H8  UNL     1       0.123   1.261  -0.634  1.00  0.00           H  
HETATM   23  H9  UNL     1       1.249   1.257   0.742  1.00  0.00           H  
HETATM   24  H10 UNL     1       3.420   2.469  -0.156  1.00  0.00           H  
HETATM   25  H11 UNL     1       3.977  -1.591   0.754  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    5
CONECT    3    4   15   16
CONECT    4   17
CONECT    5    6    7   18
CONECT    6   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   22   23
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   24
CONECT   14   25
END
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SMILES for HMDB0000868 (Xylulose 5-phosphate)

OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
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INCHI for HMDB0000868 (Xylulose 5-phosphate)

InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
5-O-Phosphono-D-threo-pentos-2-uloseChEBI
5-O-Phosphono-D-xyluloseChEBI
D-Xylulose-5-phosphateChEBI
D-Xylulose-5-phosphoric acidGenerator
Xylulose 5-phosphoric acidGenerator
D-Xylulose 5-phosphateHMDB
D-Xylulose 5-PO4HMDB
D-Xylulose-5-PHMDB
Xu-5-PHMDB
Xylulose-PHMDB
Xylulose-phosphateHMDB
Xylulose-5-phosphateMeSH, HMDB
Xylulose-5-phosphate, (D)-isomerMeSH, HMDB
Xylulose 5-phosphateHMDB
keto-D-Xylulose 5-phosphateHMDB
Chemical FormulaC5H11O8P
Average Molecular Weight230.1098
Monoisotopic Molecular Weight230.01915384
IUPAC Name{[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl]oxy}phosphonic acid
Traditional Nameribulose-5-phosphate
CAS Registry Number4212-65-1
SMILES
OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
InChI Identifier
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
InChI KeyFNZLKVNUWIIPSJ-RFZPGFLSSA-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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Acyloin
  • Beta-hydroxy ketone
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • Alpha-hydroxy ketone
  • Ketone
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Primary alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility26.1 g/LALOGPS
logP-1.8ALOGPS
logP-2.8ChemAxon
logS-0.95ALOGPS
pKa (Strongest Acidic)1.48ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area144.52 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity42.47 m³·mol⁻¹ChemAxon
Polarizability18.05 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+154.83631661259
DarkChem[M-H]-146.72631661259
AllCCS[M+H]+148.3132859911
AllCCS[M-H]-140.12532859911
DeepCCS[M+H]+138.04430932474
DeepCCS[M-H]-135.68630932474
DeepCCS[M-2H]-168.66530932474
DeepCCS[M+Na]+144.13730932474
AllCCS[M+H]+148.332859911
AllCCS[M+H-H2O]+144.832859911
AllCCS[M+NH4]+151.632859911
AllCCS[M+Na]+152.532859911
AllCCS[M-H]-140.132859911
AllCCS[M+Na-2H]-141.132859911
AllCCS[M+HCOO]-142.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Xylulose 5-phosphateOCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O3088.8Standard polar33892256
Xylulose 5-phosphateOCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O1661.2Standard non polar33892256
Xylulose 5-phosphateOCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O2029.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Xylulose 5-phosphate,1TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O1978.8Semi standard non polar33892256
Xylulose 5-phosphate,1TMS,isomer #2C[Si](C)(C)O[C@H](C(=O)CO)[C@H](O)COP(=O)(O)O1936.4Semi standard non polar33892256
Xylulose 5-phosphate,1TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@H](O)C(=O)CO1955.7Semi standard non polar33892256
Xylulose 5-phosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@H](O)C(=O)CO2023.3Semi standard non polar33892256
Xylulose 5-phosphate,1TMS,isomer #5C[Si](C)(C)OC(CO)=C(O)[C@H](O)COP(=O)(O)O2055.3Semi standard non polar33892256
Xylulose 5-phosphate,1TMS,isomer #6C[Si](C)(C)OC(=CO)[C@@H](O)[C@H](O)COP(=O)(O)O2060.9Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O1967.0Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #10C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O)C(=O)CO2004.4Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #11C[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2080.0Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #12C[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2063.6Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](O)C(=O)CO)O[Si](C)(C)C2041.9Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #14C[Si](C)(C)OC(CO)=C(O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2131.0Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #15C[Si](C)(C)OC(=CO)[C@@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2104.7Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #2C[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1973.6Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #3C[Si](C)(C)OCC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2027.3Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)COP(=O)(O)O2093.1Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O)O2125.5Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #6C[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1964.8Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #7C[Si](C)(C)O[C@H](C(=O)CO)[C@H](O)COP(=O)(O)O[Si](C)(C)C2001.9Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #8C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O)O2053.3Semi standard non polar33892256
Xylulose 5-phosphate,2TMS,isomer #9C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O2050.6Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1997.5Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #10C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2148.9Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #11C[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2022.9Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #12C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2101.9Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #13C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2067.2Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #14C[Si](C)(C)O[C@H](C(=O)CO)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2054.8Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #15C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2110.4Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #16C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2100.3Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #17C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)C(=O)CO2062.4Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #18C[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2146.5Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #19C[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2105.2Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #2C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2054.5Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #20C[Si](C)(C)OC(CO)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2156.8Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #21C[Si](C)(C)OC(=CO)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2119.2Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O)O2108.6Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #4C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O2137.3Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #5C[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2040.3Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2121.0Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #7C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2125.7Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #8C[Si](C)(C)OCC(=O)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2066.8Semi standard non polar33892256
Xylulose 5-phosphate,3TMS,isomer #9C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2161.6Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2076.9Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2043.7Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2467.0Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #10C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2208.8Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #10C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2142.1Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #10C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2456.8Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #11C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2168.4Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #11C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2086.7Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #11C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2529.1Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #12C[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2096.8Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #12C[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2056.6Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #12C[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2307.5Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #13C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2158.0Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #13C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2073.3Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #13C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2553.2Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #14C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2113.1Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #14C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2089.9Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #14C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2581.6Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #15C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2145.3Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #15C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2092.4Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #15C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2379.1Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #16C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2144.1Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #16C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2103.6Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #16C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2412.1Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #17C[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2174.6Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #17C[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2138.5Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #17C[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2435.1Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #18C[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2144.5Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #18C[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2134.2Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #18C[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2486.7Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2144.6Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2076.2Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2757.6Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2146.7Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2077.4Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2822.1Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #4C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2116.6Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #4C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2055.0Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #4C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2299.7Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #5C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2165.5Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #5C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2062.8Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #5C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2550.9Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2172.2Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2044.4Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2607.4Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #7C[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2104.2Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #7C[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2059.3Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #7C[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2361.0Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #8C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2183.6Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #8C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2113.2Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #8C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2606.7Standard polar33892256
Xylulose 5-phosphate,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2163.4Semi standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2073.7Standard non polar33892256
Xylulose 5-phosphate,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2682.0Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2125.0Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2087.3Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #1C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2235.5Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2160.5Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2081.4Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2437.7Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2181.2Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2068.7Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2499.7Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2164.8Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2099.6Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2303.1Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2202.7Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2077.6Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2362.5Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2203.7Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2149.2Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2345.4Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #7C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2201.4Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #7C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2109.4Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #7C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2425.3Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #8C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2161.8Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #8C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2114.1Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #8C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2288.8Standard polar33892256
Xylulose 5-phosphate,5TMS,isomer #9C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2156.9Semi standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #9C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2114.2Standard non polar33892256
Xylulose 5-phosphate,5TMS,isomer #9C[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2315.0Standard polar33892256
Xylulose 5-phosphate,6TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2181.5Semi standard non polar33892256
Xylulose 5-phosphate,6TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2134.9Standard non polar33892256
Xylulose 5-phosphate,6TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2263.2Standard polar33892256
Xylulose 5-phosphate,6TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2213.7Semi standard non polar33892256
Xylulose 5-phosphate,6TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2115.0Standard non polar33892256
Xylulose 5-phosphate,6TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2297.3Standard polar33892256
Xylulose 5-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O2213.3Semi standard non polar33892256
Xylulose 5-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@H](O)COP(=O)(O)O2200.5Semi standard non polar33892256
Xylulose 5-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@H](O)C(=O)CO2191.9Semi standard non polar33892256
Xylulose 5-phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@H](O)C(=O)CO2261.0Semi standard non polar33892256
Xylulose 5-phosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@H](O)COP(=O)(O)O2302.8Semi standard non polar33892256
Xylulose 5-phosphate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@H](O)COP(=O)(O)O2275.1Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2413.5Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CO2429.9Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2504.8Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2471.3Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](O)C(=O)CO)O[Si](C)(C)C(C)(C)C2469.3Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2544.6Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2531.0Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2386.9Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2453.3Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)COP(=O)(O)O2497.6Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O)O2503.6Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2396.9Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2445.4Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2499.8Semi standard non polar33892256
Xylulose 5-phosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2473.0Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2644.4Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2739.1Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2668.8Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2714.3Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2679.8Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2689.2Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2747.6Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2730.2Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CO2683.1Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2764.2Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2741.1Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2698.2Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2781.2Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2756.5Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2708.5Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2713.9Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2676.6Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2719.4Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2709.9Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2696.6Semi standard non polar33892256
Xylulose 5-phosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2761.1Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2929.3Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2744.3Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2806.9Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2992.5Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2798.6Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2807.5Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2932.2Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2726.7Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2841.9Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2911.0Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2695.6Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H](C(=O)CO)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2676.9Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2956.3Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2746.7Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2851.5Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2942.5Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2791.1Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2851.6Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2961.9Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2723.8Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2739.9Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2958.0Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2747.2Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2744.3Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2988.0Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2792.5Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(CO)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2785.2Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2971.4Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2779.4Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2800.2Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2943.5Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2784.7Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3003.3Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2929.2Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2781.7Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3021.6Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2936.4Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2710.0Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2688.3Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2975.1Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2761.1Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2858.4Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2954.4Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2734.1Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2877.1Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2916.7Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2720.0Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2736.3Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2982.9Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2826.8Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2905.2Standard polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2947.2Semi standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2759.9Standard non polar33892256
Xylulose 5-phosphate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2935.8Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3164.8Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2872.7Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2715.6Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3185.7Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2899.1Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2850.0Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3159.5Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2896.9Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2862.5Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3181.8Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2878.1Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2768.4Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3158.6Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2859.5Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2783.7Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3182.6Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2927.8Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2803.4Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3156.1Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2882.8Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2830.1Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3166.1Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2866.8Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2749.9Standard polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3165.5Semi standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2898.8Standard non polar33892256
Xylulose 5-phosphate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2747.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0592-9800000000-d336b0e2eff1402939d82016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (3 TMS) - 70eV, Positivesplash10-0a4i-9023200000-1dd7d8e1f64921beb2342017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xylulose 5-phosphate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 4V, negative-QTOFsplash10-004j-9170000000-997b74cb48ace33cccd62020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 23V, negative-QTOFsplash10-004j-9000000000-6bc02f4fe0074c9abd682020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 25V, negative-QTOFsplash10-004j-9000000000-bdadc167eb24a88aac332020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 27V, negative-QTOFsplash10-004j-9000000000-93d31d83892e88720b872020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 30V, negative-QTOFsplash10-004i-9000000000-10cd88e85162e62697512020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 33V, negative-QTOFsplash10-004i-9000000000-e9f2bf02f0d01a879d202020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 35V, negative-QTOFsplash10-004i-9000000000-732cd41f406b617c64a02020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 40V, negative-QTOFsplash10-004i-9000000000-25a5607c50f3e9bb5a142020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 45V, negative-QTOFsplash10-004i-9000000000-ea506b9429ed926c5f932020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 23V, negative-QTOFsplash10-0002-9120000000-1172898b831a36b0afcb2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 25V, negative-QTOFsplash10-0002-9110000000-132340cd62e8e4a0ccd22020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 27V, negative-QTOFsplash10-0002-9110000000-297d4c6907686258e5522020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 30V, negative-QTOFsplash10-0002-9100000000-1cce49f995c912b1cc942020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 33V, negative-QTOFsplash10-0002-9100000000-8bba2d7511cc9829eb362020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 35V, negative-QTOFsplash10-0002-9100000000-89b3b4fdcb0326bfa0e02020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 40V, negative-QTOFsplash10-0002-9100000000-91e850ff1cd255a2f7fd2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate QTOF 45V, negative-QTOFsplash10-002b-9100000000-9c43f84a30add3ebce502020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate n/a 16V, negative-QTOFsplash10-0002-9000000000-75847d481a06c31fa4792020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Xylulose 5-phosphate n/a 16V, negative-QTOFsplash10-004i-0091000000-0af17cfb2eb7eab949672020-07-21HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xylulose 5-phosphate 10V, Positive-QTOFsplash10-01q9-3790000000-6f5913e9948fa7667e412015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xylulose 5-phosphate 20V, Positive-QTOFsplash10-0btd-9710000000-3724bb9f611bbdc1fe112015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xylulose 5-phosphate 40V, Positive-QTOFsplash10-0a4i-9200000000-8bc9cecb2dddad8ca5e32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xylulose 5-phosphate 10V, Negative-QTOFsplash10-002r-9520000000-c36fdbcc1d3b19b2fafd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xylulose 5-phosphate 20V, Negative-QTOFsplash10-004i-9100000000-b67b8ea484aa4ddb40e32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xylulose 5-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-82b17cf4f5a8c927fe642015-09-15Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-17Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Cellular Cytoplasm
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Cellular CytoplasmDetected and Quantified0.43 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB04034
Phenol Explorer Compound IDNot Available
FooDB IDFDB022290
KNApSAcK IDC00019693
Chemspider ID388330
KEGG Compound IDC00231
BioCyc IDXYLULOSE-5-PHOSPHATE
BiGG ID34329
Wikipedia LinkXylulose 5-phosphate
METLIN ID5829
PubChem Compound439190
PDB IDNot Available
ChEBI ID16332
Food Biomarker OntologyNot Available
VMH IDXU5P_D
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceShaeri, Jobin; Wohlgemuth, Roland; Woodley, John M. Semiquantitative Process Screening for the Biocatalytic Synthesis of D-Xylulose-5-phosphate. Organic Process Research & Development (2006), 10(3), 605-610.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed:15882454 ]
  2. Sanchez B, Champomier-Verges MC, Anglade P, Baraige F, de Los Reyes-Gavilan CG, Margolles A, Zagorec M: Proteomic analysis of global changes in protein expression during bile salt exposure of Bifidobacterium longum NCIMB 8809. J Bacteriol. 2005 Aug;187(16):5799-808. [PubMed:16077128 ]
  3. Williams DG: Effect of added xylulose-5-phosphate on the assay of erythrocyte transketolase. Clin Chem. 1977 Jul;23(7):1368. [PubMed:872397 ]
  4. Himmo SD, Thomson M, Gubler CJ: Isolation of transketolase from human erythrocytes. Prep Biochem. 1988;18(3):261-76. [PubMed:3237644 ]
  5. Veech RL: A humble hexose monophosphate pathway metabolite regulates short- and long-term control of lipogenesis. Proc Natl Acad Sci U S A. 2003 May 13;100(10):5578-80. Epub 2003 Apr 29. [PubMed:12721358 ]

Enzymes

Enzyme Details
1. Transketolase-like protein 1
General function:
Involved in catalytic activity
Specific function:
Catalyzes the transfer of a two-carbon ketol group from a ketose donor to an aldose acceptor, via a covalent intermediate with the cofactor thiamine pyrophosphate (By similarity).
Gene Name:
TKTL1
Uniprot ID:
P51854
Molecular weight:
59302.195
Reactions
D-Sedoheptulose 7-phosphate + Glyceraldehyde 3-phosphate → D-Ribose 5-phosphate + Xylulose 5-phosphatedetails
Beta-D-Fructose 6-phosphate + Glyceraldehyde 3-phosphate → D-Erythrose 4-phosphate + Xylulose 5-phosphatedetails
D-Sedoheptulose 7-phosphate + Glyceraldehyde 3-phosphate → D-Ribose 5-phosphate + Xylulose 5-phosphatedetails
Beta-D-Fructose 6-phosphate + Glyceraldehyde 3-phosphate → D-Erythrose 4-phosphate + Xylulose 5-phosphatedetails
Enzyme Details
2. Transketolase
General function:
Involved in catalytic activity
Specific function:
Catalyzes the transfer of a two-carbon ketol group from a ketose donor to an aldose acceptor, via a covalent intermediate with the cofactor thiamine pyrophosphate.
Gene Name:
TKT
Uniprot ID:
P29401
Molecular weight:
67876.95
Reactions
D-Sedoheptulose 7-phosphate + Glyceraldehyde 3-phosphate → D-Ribose 5-phosphate + Xylulose 5-phosphatedetails
Beta-D-Fructose 6-phosphate + Glyceraldehyde 3-phosphate → D-Erythrose 4-phosphate + Xylulose 5-phosphatedetails
D-Sedoheptulose 7-phosphate + Glyceraldehyde 3-phosphate → D-Ribose 5-phosphate + Xylulose 5-phosphatedetails
Beta-D-Fructose 6-phosphate + Glyceraldehyde 3-phosphate → D-Erythrose 4-phosphate + Xylulose 5-phosphatedetails
Enzyme Details
3. Xylulose kinase
General function:
Involved in phosphotransferase activity, alcohol group as acceptor
Specific function:
Not Available
Gene Name:
XYLB
Uniprot ID:
O75191
Molecular weight:
58381.695
Reactions
Adenosine triphosphate + D-Xylulose → ADP + Xylulose 5-phosphatedetails
Enzyme Details
4. Putative uncharacterized protein RPE
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
RPE
Uniprot ID:
Q53TV9
Molecular weight:
19537.4
Enzyme Details
5. Ribulose-phosphate 3-epimerase
General function:
Involved in catalytic activity
Specific function:
Catalyzes the reversible epimerization of D-ribulose 5-phosphate to D-xylulose 5-phosphate.
Gene Name:
RPE
Uniprot ID:
Q96AT9
Molecular weight:
19537.385
Reactions
D-Ribulose 5-phosphate → Xylulose 5-phosphatedetails
Enzyme Details
6. Transketolase-like protein 2
General function:
Involved in catalytic activity
Specific function:
Plays an essential role in total transketolase activity and cell proliferation in cancer cells; after transfection with anti-TKTL1 siRNA, total transketolase activity dramatically decreases and proliferation was significantly inhibited in cancer cells. Plays a pivotal role in carcinogenesis.
Gene Name:
TKTL2
Uniprot ID:
Q9H0I9
Molecular weight:
67876.625
Reactions
D-Sedoheptulose 7-phosphate + Glyceraldehyde 3-phosphate → D-Ribose 5-phosphate + Xylulose 5-phosphatedetails
Beta-D-Fructose 6-phosphate + Glyceraldehyde 3-phosphate → D-Erythrose 4-phosphate + Xylulose 5-phosphatedetails
D-Sedoheptulose 7-phosphate + Glyceraldehyde 3-phosphate → D-Ribose 5-phosphate + Xylulose 5-phosphatedetails
Beta-D-Fructose 6-phosphate + Glyceraldehyde 3-phosphate → D-Erythrose 4-phosphate + Xylulose 5-phosphatedetails