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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-02-04 11:56:39 UTC

Update Date

2021-09-14 15:39:01 UTC

HMDB ID

HMDB0011688

Secondary Accession Numbers

HMDB11688

Metabolite Identification

Common Name

Ribose 1,5-bisphosphate

Description

Ribose 1,5-bisphosphate (Rib-1,5-P2), a newly discovered activator of phosphofructokinase. It forms rapidly during the initiation of glycolytic flux and disappears within 20 s/ Ribose 1,5-bisphosphate is a potent regulator of the fructose 6-phosphate/fructose 1,6-bisphosphate cycle in the liver. Ribose 1,5-bisphosphate is a substrate for Ribose 1,5-bisphosphate phosphokinase (EC 2.7.4.23), an enzyme that catalyzes the chemical reaction. ATP + ribose 1,5-bisphosphate <-> ADP + 5-phospho-alpha-D-ribose 1-diphosphate.

Structure

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

HMDB0011688
     RDKit          3D
Ribose 1,5-bisphosphate
 30 30  0  0  0  0  0  0  0  0999 V2000
   -4.9035    0.4851    1.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1743   -0.5034    0.4793 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.1814   -1.9878    1.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0191   -0.5342   -0.9814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6477    0.1043    0.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -0.8732    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.1833   -0.0652 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7324   -1.0576   -0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752   -0.1734   -0.4465 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0152    0.5986    0.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    0.3776    1.1319 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5286    0.9962    0.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9462    1.2098    2.5909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -1.2410    1.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.6962   -1.5429 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3634    2.0435   -1.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723    0.3816   -1.4679 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0577    1.5116   -1.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235   -1.9626    1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610   -0.6797   -1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -1.5273   -0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -1.5089    1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256    0.6089    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -0.7167   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.8572    3.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634   -1.5195    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6355    0.4683   -2.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    2.2387   -0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727   -0.3915   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948    2.2823   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  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
  9 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  7  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  1
  9 24  1  6
 13 25  1  0
 14 26  1  0
 15 27  1  6
 16 28  1  0
 17 29  1  6
 18 30  1  0
M  END


  Mrv0541 02241201502D          

 18 18  0  0  1  0            999 V2000
   10.8626   -7.7672    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6077   -8.5518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1952   -7.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5279   -7.7672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7827   -8.5518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7432   -7.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2979   -9.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0925   -9.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6472   -7.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5717   -6.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871   -6.4505    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0421   -5.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5322   -7.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0025   -6.1955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2602   -8.0643    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.7082   -8.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8122   -7.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8732   -8.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  1  1  0  0  0
  5  7  1  6  0  0  0
  2  8  1  6  0  0  0
  1  9  1  6  0  0  0
 10  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 10 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
  9 15  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011688

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

> <INCHI_KEY>
AAAFZMYJJHWUPN-TXICZTDVSA-N

> <FORMULA>
C5H12O11P2

> <MOLECULAR_WEIGHT>
310.0897

> <EXACT_MASS>
309.98548425

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
22.784799061003696

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.44

> <JCHEM_LOGP>
-2.5493363386666665

> <ALOGPS_LOGS>
-1.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.4913750138310244

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8866511557619119

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6809079478042834

> <JCHEM_POLAR_SURFACE_AREA>
183.20999999999998

> <JCHEM_REFRACTIVITY>
51.7067

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.56e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011688
     RDKit          3D
Ribose 1,5-bisphosphate
 30 30  0  0  0  0  0  0  0  0999 V2000
   -4.9035    0.4851    1.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1743   -0.5034    0.4793 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.1814   -1.9878    1.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0191   -0.5342   -0.9814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6477    0.1043    0.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -0.8732    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.1833   -0.0652 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7324   -1.0576   -0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752   -0.1734   -0.4465 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0152    0.5986    0.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    0.3776    1.1319 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5286    0.9962    0.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9462    1.2098    2.5909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -1.2410    1.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.6962   -1.5429 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3634    2.0435   -1.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723    0.3816   -1.4679 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0577    1.5116   -1.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235   -1.9626    1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610   -0.6797   -1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -1.5273   -0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -1.5089    1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256    0.6089    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -0.7167   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.8572    3.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634   -1.5195    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6355    0.4683   -2.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    2.2387   -0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727   -0.3915   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948    2.2823   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  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
  9 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  7  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  1
  9 24  1  6
 13 25  1  0
 14 26  1  0
 15 27  1  6
 16 28  1  0
 17 29  1  6
 18 30  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      20.277 -14.499   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      19.801 -15.963   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      19.031 -13.594   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      17.785 -14.499   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.261 -15.963   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.321 -14.023   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      17.356 -17.209   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      20.706 -17.209   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      21.741 -14.023   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      16.001 -12.517   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0      14.536 -12.041   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      15.012 -10.576   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      14.060 -13.505   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      13.071 -11.565   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0      22.886 -15.053   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0      21.855 -16.198   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      23.916 -13.909   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      24.030 -16.084   0.000  0.00  0.00           O+0
CONECT    1    2    3    9                                                  
CONECT    2    1    8    5                                                  
CONECT    3    1    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4    7    2                                                  
CONECT    6    4   10                                                       
CONECT    7    5                                                            
CONECT    8    2                                                            
CONECT    9    1   15                                                       
CONECT   10    6   11                                                       
CONECT   11   12   13   14   10                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15   16   17   18    9                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

COMPND    HMDB0011688
HETATM    1  O1  UNL     1      -4.903   0.485   1.391  1.00  0.00           O  
HETATM    2  P1  UNL     1      -4.174  -0.503   0.479  1.00  0.00           P  
HETATM    3  O2  UNL     1      -4.181  -1.988   1.251  1.00  0.00           O  
HETATM    4  O3  UNL     1      -5.019  -0.534  -0.981  1.00  0.00           O  
HETATM    5  O4  UNL     1      -2.648   0.104   0.197  1.00  0.00           O  
HETATM    6  C1  UNL     1      -1.657  -0.873   0.200  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.348  -0.183  -0.065  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.732  -1.058  -0.086  1.00  0.00           O  
HETATM    9  C3  UNL     1       1.775  -0.173  -0.447  1.00  0.00           C  
HETATM   10  O6  UNL     1       2.015   0.599   0.702  1.00  0.00           O  
HETATM   11  P2  UNL     1       3.634   0.378   1.132  1.00  0.00           P  
HETATM   12  O7  UNL     1       4.529   0.996   0.070  1.00  0.00           O  
HETATM   13  O8  UNL     1       3.946   1.210   2.591  1.00  0.00           O  
HETATM   14  O9  UNL     1       4.033  -1.241   1.297  1.00  0.00           O  
HETATM   15  C4  UNL     1       1.211   0.696  -1.543  1.00  0.00           C  
HETATM   16  O10 UNL     1       1.363   2.043  -1.252  1.00  0.00           O  
HETATM   17  C5  UNL     1      -0.272   0.382  -1.468  1.00  0.00           C  
HETATM   18  O11 UNL     1      -1.058   1.512  -1.621  1.00  0.00           O  
HETATM   19  H1  UNL     1      -3.524  -1.963   1.979  1.00  0.00           H  
HETATM   20  H2  UNL     1      -4.361  -0.680  -1.731  1.00  0.00           H  
HETATM   21  H3  UNL     1      -1.876  -1.527  -0.689  1.00  0.00           H  
HETATM   22  H4  UNL     1      -1.648  -1.509   1.084  1.00  0.00           H  
HETATM   23  H5  UNL     1      -0.126   0.609   0.671  1.00  0.00           H  
HETATM   24  H6  UNL     1       2.671  -0.717  -0.776  1.00  0.00           H  
HETATM   25  H7  UNL     1       3.381   0.857   3.317  1.00  0.00           H  
HETATM   26  H8  UNL     1       4.663  -1.519   0.593  1.00  0.00           H  
HETATM   27  H9  UNL     1       1.636   0.468  -2.531  1.00  0.00           H  
HETATM   28  H10 UNL     1       1.274   2.239  -0.287  1.00  0.00           H  
HETATM   29  H11 UNL     1      -0.473  -0.391  -2.219  1.00  0.00           H  
HETATM   30  H12 UNL     1      -0.595   2.282  -1.257  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   19
CONECT    4   20
CONECT    5    6
CONECT    6    7   21   22
CONECT    7    8   17   23
CONECT    8    9
CONECT    9   10   15   24
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   25
CONECT   14   26
CONECT   15   16   17   27
CONECT   16   28
CONECT   17   18   29
CONECT   18   30
END

HMDB0011688
     RDKit          3D
Ribose 1,5-bisphosphate
 30 30  0  0  0  0  0  0  0  0999 V2000
   -4.9035    0.4851    1.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1743   -0.5034    0.4793 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.1814   -1.9878    1.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0191   -0.5342   -0.9814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6477    0.1043    0.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -0.8732    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.1833   -0.0652 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7324   -1.0576   -0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752   -0.1734   -0.4465 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0152    0.5986    0.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    0.3776    1.1319 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5286    0.9962    0.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9462    1.2098    2.5909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -1.2410    1.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.6962   -1.5429 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3634    2.0435   -1.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723    0.3816   -1.4679 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0577    1.5116   -1.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235   -1.9626    1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610   -0.6797   -1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -1.5273   -0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -1.5089    1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256    0.6089    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -0.7167   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.8572    3.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634   -1.5195    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6355    0.4683   -2.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    2.2387   -0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727   -0.3915   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948    2.2823   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  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
  9 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  7  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  1
  9 24  1  6
 13 25  1  0
 14 26  1  0
 15 27  1  6
 16 28  1  0
 17 29  1  6
 18 30  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
alpha-D-Ribose 1,5-diphosphate	ChEBI
alpha-D-Ribose 1,5-bisphosphate	Kegg
a-D-Ribose 1,5-diphosphate	Generator
a-D-Ribose 1,5-diphosphoric acid	Generator
alpha-D-Ribose 1,5-diphosphoric acid	Generator
Α-D-ribose 1,5-diphosphate	Generator
Α-D-ribose 1,5-diphosphoric acid	Generator
a-D-Ribose 1,5-bisphosphate	Generator
a-D-Ribose 1,5-bisphosphoric acid	Generator
alpha-D-Ribose 1,5-bisphosphoric acid	Generator
Α-D-ribose 1,5-bisphosphate	Generator
Α-D-ribose 1,5-bisphosphoric acid	Generator
Ribose 1,5-bisphosphoric acid	Generator
D-Ribose 1,5-diphosphate	HMDB
Rib-1,5-P2	HMDB

Chemical Formula

C₅H₁₂O₁₁P₂

Average Molecular Weight

310.0897

Monoisotopic Molecular Weight

309.98548425

IUPAC Name

{[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy}phosphonic acid

Traditional Name

[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxyphosphonic acid

CAS Registry Number

14689-84-0

SMILES

O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O

InChI Identifier

InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

InChI Key

AAAFZMYJJHWUPN-TXICZTDVSA-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
Monosaccharide phosphate
Monoalkyl phosphate
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Tetrahydrofuran
1,2-diol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-ribose 1,5-bisphosphate (CHEBI:68819 )

Ontology

Not Available

Endogenous (HMDB: HMDB0011688)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

PRPP Biosynthesis (PathBank: SMP0000926)
Methylphosphonate Degradation I (PathBank: SMP0002077)

Role

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	15.6 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-2.5	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.21 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	51.71 m³·mol⁻¹	ChemAxon
Polarizability	22.78 Å³	ChemAxon
Number of Rings	1	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]+	166.097	31661259
DarkChem	[M-H]-	159.256	31661259
DeepCCS	[M+H]+	154.555	30932474
DeepCCS	[M-H]-	152.16	30932474
DeepCCS	[M-2H]-	185.332	30932474
DeepCCS	[M+Na]+	160.561	30932474
AllCCS	[M+H]+	164.4	32859911
AllCCS	[M+H-H2O]+	161.2	32859911
AllCCS	[M+NH4]+	167.4	32859911
AllCCS	[M+Na]+	168.2	32859911
AllCCS	[M-H]-	153.4	32859911
AllCCS	[M+Na-2H]-	153.6	32859911
AllCCS	[M+HCOO]-	153.9	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	2.15 minutes	32390414
Predicted by Siyang on May 30, 2022	9.3906 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.65 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	537.0 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	391.3 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	310.2 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	17.2 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	200.0 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	87.5 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	310.3 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	241.3 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	976.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	562.5 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	46.2 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	582.8 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	201.2 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	382.1 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	1055.7 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	573.0 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	574.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ribose 1,5-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O	2921.6	Standard polar	33892256
Ribose 1,5-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O	2103.2	Standard non polar	33892256
Ribose 1,5-bisphosphate	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O	2575.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ribose 1,5-bisphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O	2406.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COP(=O)(O)O)[C@H]1O	2414.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	2463.6	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O	2542.4	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2332.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	2466.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2391.4	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	2399.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2471.4	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)O[Si](C)(C)C	2438.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #7	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2543.5	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2533.5	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2388.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2436.7	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3514.1	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2497.8	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2460.8	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3242.1	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2326.4	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2439.6	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3558.3	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	2426.0	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	2481.0	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	3317.2	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2417.7	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2447.9	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	3361.6	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2341.8	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2504.1	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	3394.8	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	2361.6	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	2504.1	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	3408.9	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2431.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2449.5	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	3381.4	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2433.2	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2482.2	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3347.6	Standard polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2455.6	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2480.5	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O	3263.3	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2411.0	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2445.9	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3165.8	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2420.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2409.5	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3219.3	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2329.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2465.1	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3228.4	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2469.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2452.2	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	3067.0	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2451.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2464.2	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	3095.8	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2465.2	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2464.0	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	3111.7	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2481.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2451.6	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3095.2	Standard polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2480.6	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2502.3	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3010.4	Standard polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2460.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2409.8	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2938.3	Standard polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2439.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2421.6	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2965.0	Standard polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2502.4	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2440.2	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2841.6	Standard polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2512.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2442.0	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2865.2	Standard polar	33892256
Ribose 1,5-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2492.7	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2418.3	Standard non polar	33892256
Ribose 1,5-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2763.6	Standard polar	33892256
Ribose 1,5-bisphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O	2637.0	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COP(=O)(O)O)[C@H]1O	2638.5	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	2702.2	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O	2786.7	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2741.0	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	2883.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2791.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	2795.0	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	2883.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2847.8	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2944.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	2956.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3023.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3037.7	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3669.8	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3121.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3005.5	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3474.0	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2961.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3028.5	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3711.2	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	3065.4	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	3026.1	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	3522.7	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3065.0	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3017.9	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3545.8	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2980.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3034.4	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3592.5	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	2997.8	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	3037.3	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H]1O	3606.6	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3076.2	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3022.7	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3564.9	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)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	3076.7	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)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	3030.8	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)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	3554.6	Standard polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3084.7	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3023.4	Standard non polar	33892256
Ribose 1,5-bisphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3488.4	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3255.8	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3128.5	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3408.2	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3247.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3108.9	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3423.3	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=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	3181.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=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	3131.2	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=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	3460.5	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3278.2	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3088.5	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3317.7	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3252.5	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3101.9	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3342.9	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3262.3	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3108.0	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3355.4	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](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)[C@H]1O	3289.6	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](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)[C@H]1O	3093.1	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)O[Si](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)[C@H]1O	3344.7	Standard polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3282.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3083.4	Standard non polar	33892256
Ribose 1,5-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3297.9	Standard polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3482.1	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3186.8	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3282.4	Standard polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=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	3456.5	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=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	3195.3	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=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	3305.9	Standard polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3458.2	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3152.1	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	3221.0	Standard polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](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)[C@H]1O	3465.9	Semi standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](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)[C@H]1O	3157.8	Standard non polar	33892256
Ribose 1,5-bisphosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](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)[C@H]1O	3241.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ribose 1,5-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9220000000-1f3f7b88b2533c821f09	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ribose 1,5-bisphosphate GC-MS (2 TMS) - 70eV, Positive	splash10-0gk9-5961100000-7dad9badee988041b0b3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ribose 1,5-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ribose 1,5-bisphosphate 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 - Ribose 1,5-bisphosphate 10V, Positive-QTOF	splash10-0002-9031000000-9ab528e46e1d66c4ad5c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 20V, Positive-QTOF	splash10-0002-9140000000-e56de52e1d17f4286991	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 40V, Positive-QTOF	splash10-0002-9200000000-f31e4ea5f4dea26394f8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 10V, Negative-QTOF	splash10-0a6r-9018000000-cb48112104543e57b955	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 20V, Negative-QTOF	splash10-004i-9000000000-01974a0116774007bec1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-66ebbf7bf34456c4b1c4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 10V, Negative-QTOF	splash10-0a4i-0009000000-fb37007c75b47c9fa5c9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 20V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 40V, Negative-QTOF	splash10-002b-9000000000-76ac5cacd6931823795a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 10V, Positive-QTOF	splash10-03di-1497000000-3b1c1ff96d6402c978d4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 20V, Positive-QTOF	splash10-01ow-5921000000-6f619c34507855803d10	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ribose 1,5-bisphosphate 40V, Positive-QTOF	splash10-0002-9200000000-0d61721cadf3a2610781	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 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
Predicted 1D NMR	¹³C 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

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028375

KNApSAcK ID

Not Available

Chemspider ID

26328792

KEGG Compound ID

C01151

BioCyc ID

RIBOSE-15-BISPHOSPHATE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14035695

PDB ID

RI2

ChEBI ID

68819

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Ribose 1,5-bisphosphate (HMDB0011688)

MOL for HMDB0011688 (Ribose 1,5-bisphosphate)

3D MOL for HMDB0011688 (Ribose 1,5-bisphosphate)

3D SDF for HMDB0011688 (Ribose 1,5-bisphosphate)

3D-SDF for HMDB0011688 (Ribose 1,5-bisphosphate)

PDB for HMDB0011688 (Ribose 1,5-bisphosphate)

3D PDB for HMDB0011688 (Ribose 1,5-bisphosphate)

SMILES for HMDB0011688 (Ribose 1,5-bisphosphate)

INCHI for HMDB0011688 (Ribose 1,5-bisphosphate)

Structure for HMDB0011688 (Ribose 1,5-bisphosphate)

3D Structure for HMDB0011688 (Ribose 1,5-bisphosphate)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra