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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (4) Show 4 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-12 22:34:16 UTC

Update Date

2021-09-14 15:39:07 UTC

HMDB ID

HMDB0003514

Secondary Accession Numbers

HMDB03514

Metabolite Identification

Common Name

alpha-D-Glucose 1,6-bisphosphate

Description

Glucose 1,6-diphosphate (G-1,6-P2) is considered to be a major regulator of carbohydrate metabolism. It has been demonstrated that G-1,6-P2 is a potent activator (deinhibitor) of skeletal muscle phosphofructokinase (PFK) and phosphoglucomutase, while being an inhibitor of hexokinase (see Ref. 2). In addition, G-1,6-P2 has been shown to inhibit 6-phosphogluconate dehydrogenase in various rat tissues and fructose 1,6-bisphosphatase in bovine liver. Various factors and conditions affect the tissue content of G-1,6-P2. Specifically, anoxia induces a rapid fall in the content of G-l,6-P2 in the brain. Glucose 1,6-diphosphate has been recognized as a regulatory signal implicated in the control of metabolism, oxygen affinity of red cells, and other cellular functions. The levels of G 1,6-P2 are reduced in the liver and in the muscle of rats with experimentally induced diabetes. In muscle of genetically dystrophic mice, a decrease in the levels of G 1,6-P2 has been found, probably resulting from enhancement of glucose 1,6-P2 phosphatase activity. G 1,6-P2 is an inhibitor of hexokinase and its level is increased significantly after 5 min of exercise (~25%) and then decreased continuously. G 1,6-P2 is a potent allosteric activator of phosphofructokinase, and is markedly decreased in muscles of patients with glycogenosis type VII (muscle phosphofructokinase deficiency) and type V (muscle phosphorylase deficiency). Chronic alcohol intake produces an increase in the concentration of G 1,6-P2 in human muscle before the first sign of myopathy appears. When myopathy is present the level decreases to be similar to healthy humans. These changes could contribute to the decline in skeletal muscle performance (PMID:1449560 , 2018547 , 2003594 , 3407759 ).

Structure

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

HMDB0003514
     RDKit          3D
alpha-D-Glucose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    5.5028    0.6581    0.9082 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3237    1.0427    0.0316 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9091    2.6647    0.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    0.7867   -1.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9767    0.0809    0.3766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422    0.8749    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109    0.0605    0.5157 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5316    0.7984    0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6718    0.1115    0.0702 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7166    0.7070    0.7827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601    1.4167   -0.2292 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5489    1.1773   -1.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421    3.0969    0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3699    0.7437    0.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6806   -1.3434    0.3827 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1213   -1.5798    1.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.0658    0.0924 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5817   -3.1288   -0.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -1.0755   -0.4936 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8215   -1.6248   -0.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029    2.8076    1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695   -0.1427   -1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    1.2653   -0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8845    1.7081    0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -0.3396    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    0.2827   -1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307    3.5458   -0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3197   -0.2318    0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734   -1.8200   -0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -2.4980    1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.4535    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -2.9040   -1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175   -0.6487   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -1.9733   -1.6147 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 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
  9 26  1  6
 13 27  1  0
 14 28  1  0
 15 29  1  6
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END


  Mrv1652309042000292D          

 20 20  0  0  0  0            999 V2000
    0.5582    1.0063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1562    1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    0.1812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2727   -0.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    0.1812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5852   -0.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562   -0.2313    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1562   -1.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    1.0063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5852    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2997    1.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246    1.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246    0.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246    1.0063    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9497    1.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    2.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    0.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    1.4188    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227    1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2  1  1  0  0  0  0
  9  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  3  1  0  0  0  0
  3  1  1  0  0  0  0
  1 16  1  6  0  0  0
  3  4  1  6  0  0  0
  5  6  1  6  0  0  0
  7  8  1  1  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003514

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1

> <INCHI_KEY>
RWHOZGRAXYWRNX-VFUOTHLCSA-N

> <FORMULA>
C6H14O12P2

> <MOLECULAR_WEIGHT>
340.1157

> <EXACT_MASS>
339.996048936

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
24.959614359562895

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.65

> <JCHEM_LOGP>
-3.1796712806666663

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.4915079093370291

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8867658416836726

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649397555635149

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
57.669200000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003514
     RDKit          3D
alpha-D-Glucose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    5.5028    0.6581    0.9082 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3237    1.0427    0.0316 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9091    2.6647    0.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    0.7867   -1.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9767    0.0809    0.3766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422    0.8749    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109    0.0605    0.5157 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5316    0.7984    0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6718    0.1115    0.0702 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7166    0.7070    0.7827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601    1.4167   -0.2292 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5489    1.1773   -1.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421    3.0969    0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3699    0.7437    0.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6806   -1.3434    0.3827 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1213   -1.5798    1.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.0658    0.0924 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5817   -3.1288   -0.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -1.0755   -0.4936 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8215   -1.6248   -0.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029    2.8076    1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695   -0.1427   -1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    1.2653   -0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8845    1.7081    0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -0.3396    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    0.2827   -1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307    3.5458   -0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3197   -0.2318    0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734   -1.8200   -0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -2.4980    1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.4535    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -2.9040   -1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175   -0.6487   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -1.9733   -1.6147 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 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
  9 26  1  6
 13 27  1  0
 14 28  1  0
 15 29  1  6
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END

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  C   UNK     0       1.042   1.878   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.292   2.648   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.042   0.338   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.376  -0.432   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.625   0.338   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.959  -0.432   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.292  -0.432   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.292  -1.972   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.625   1.878   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.959   2.648   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -4.293   1.878   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -5.833   3.418   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -5.833   0.338   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0      -5.833   1.878   0.000  0.00  0.00           P+0
HETATM   15  O   UNK     0      -7.373   1.878   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       2.376   2.648   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       3.916   4.188   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       3.916   1.108   0.000  0.00  0.00           O+0
HETATM   19  P   UNK     0       3.916   2.648   0.000  0.00  0.00           P+0
HETATM   20  O   UNK     0       5.456   2.648   0.000  0.00  0.00           O+0
CONECT    1    2    3   16                                                  
CONECT    2    9    1                                                       
CONECT    3    7    1    4                                                  
CONECT    4    3                                                            
CONECT    5    9    7    6                                                  
CONECT    6    5                                                            
CONECT    7    5    3    8                                                  
CONECT    8    7                                                            
CONECT    9    2    5   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   14                                                       
CONECT   12   14                                                            
CONECT   13   14                                                            
CONECT   14   11   12   13   15                                             
CONECT   15   14                                                            
CONECT   16    1   19                                                       
CONECT   17   19                                                            
CONECT   18   19                                                            
CONECT   19   16   17   18   20                                             
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0003514
HETATM    1  O1  UNL     1       5.503   0.658   0.908  1.00  0.00           O  
HETATM    2  P1  UNL     1       4.324   1.043   0.032  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.909   2.665   0.250  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.754   0.787  -1.602  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.977   0.081   0.377  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.842   0.875   0.219  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.611   0.061   0.516  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.532   0.798   0.374  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.672   0.111   0.070  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.717   0.707   0.783  1.00  0.00           O  
HETATM   11  P2  UNL     1      -3.860   1.417  -0.229  1.00  0.00           P  
HETATM   12  O7  UNL     1      -3.549   1.177  -1.690  1.00  0.00           O  
HETATM   13  O8  UNL     1      -3.942   3.097   0.024  1.00  0.00           O  
HETATM   14  O9  UNL     1      -5.370   0.744   0.151  1.00  0.00           O  
HETATM   15  C4  UNL     1      -1.681  -1.343   0.383  1.00  0.00           C  
HETATM   16  O10 UNL     1      -2.121  -1.580   1.706  1.00  0.00           O  
HETATM   17  C5  UNL     1      -0.408  -2.066   0.092  1.00  0.00           C  
HETATM   18  O11 UNL     1      -0.582  -3.129  -0.805  1.00  0.00           O  
HETATM   19  C6  UNL     1       0.569  -1.075  -0.494  1.00  0.00           C  
HETATM   20  O12 UNL     1       1.822  -1.625  -0.711  1.00  0.00           O  
HETATM   21  H1  UNL     1       3.603   2.808   1.164  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.069  -0.143  -1.711  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.790   1.265  -0.814  1.00  0.00           H  
HETATM   24  H4  UNL     1       1.884   1.708   0.959  1.00  0.00           H  
HETATM   25  H5  UNL     1       0.650  -0.340   1.550  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.902   0.283  -1.004  1.00  0.00           H  
HETATM   27  H7  UNL     1      -3.131   3.546  -0.307  1.00  0.00           H  
HETATM   28  H8  UNL     1      -5.320  -0.232   0.071  1.00  0.00           H  
HETATM   29  H9  UNL     1      -2.473  -1.820  -0.256  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.976  -2.498   1.979  1.00  0.00           H  
HETATM   31  H11 UNL     1       0.017  -2.454   1.048  1.00  0.00           H  
HETATM   32  H12 UNL     1      -0.152  -2.904  -1.662  1.00  0.00           H  
HETATM   33  H13 UNL     1       0.117  -0.649  -1.421  1.00  0.00           H  
HETATM   34  H14 UNL     1       1.946  -1.973  -1.615  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   21
CONECT    4   22
CONECT    5    6
CONECT    6    7   23   24
CONECT    7    8   19   25
CONECT    8    9
CONECT    9   10   15   26
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   27
CONECT   14   28
CONECT   15   16   17   29
CONECT   16   30
CONECT   17   18   19   31
CONECT   18   32
CONECT   19   20   33
CONECT   20   34
END

HMDB0003514
     RDKit          3D
alpha-D-Glucose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    5.5028    0.6581    0.9082 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3237    1.0427    0.0316 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9091    2.6647    0.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    0.7867   -1.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9767    0.0809    0.3766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422    0.8749    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109    0.0605    0.5157 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5316    0.7984    0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6718    0.1115    0.0702 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7166    0.7070    0.7827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601    1.4167   -0.2292 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5489    1.1773   -1.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421    3.0969    0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3699    0.7437    0.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6806   -1.3434    0.3827 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1213   -1.5798    1.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.0658    0.0924 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5817   -3.1288   -0.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -1.0755   -0.4936 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8215   -1.6248   -0.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029    2.8076    1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695   -0.1427   -1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    1.2653   -0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8845    1.7081    0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -0.3396    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    0.2827   -1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307    3.5458   -0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3197   -0.2318    0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734   -1.8200   -0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -2.4980    1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.4535    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -2.9040   -1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175   -0.6487   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -1.9733   -1.6147 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 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
  9 26  1  6
 13 27  1  0
 14 28  1  0
 15 29  1  6
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
alpha-D-Glucose 1,6-biphosphate	ChEBI
D-Glucose 1,6-biphosphate	ChEBI
D-Glucose 1,6-bisphosphate	Kegg
a-D-Glucose 1,6-biphosphate	Generator
a-D-Glucose 1,6-biphosphoric acid	Generator
alpha-D-Glucose 1,6-biphosphoric acid	Generator
Α-D-glucose 1,6-biphosphate	Generator
Α-D-glucose 1,6-biphosphoric acid	Generator
D-Glucose 1,6-biphosphoric acid	Generator
D-Glucose 1,6-bisphosphoric acid	Generator
a-D-Glucose 1,6-bisphosphate	Generator
a-D-Glucose 1,6-bisphosphoric acid	Generator
alpha-D-Glucose 1,6-bisphosphoric acid	Generator
Α-D-glucose 1,6-bisphosphate	Generator
Α-D-glucose 1,6-bisphosphoric acid	Generator
a-D-Glucose 1,6-bis(dihydrogen phosphate)	HMDB
a-D-Glucose 1,6-diphosphate	HMDB
alpha-D-1,6-Bis(dihydrogen phosphate) glucopyranose	HMDB
alpha-D-Glucose 1,6-bis(dihydrogen phosphate)	HMDB
alpha-D-Glucose 1,6-diphosphate	HMDB
alpha-delta-1,6-Bis(dihydrogen phosphate) glucopyranose	HMDB
alpha-delta-Glucose 1,6-bis(dihydrogen phosphate)	HMDB
alpha-delta-Glucose 1,6-bisphosphate	HMDB
alpha-delta-Glucose 1,6-diphosphate	HMDB
D-Glucose 1,6-diphosphate	HMDB
delta-Glucose 1,6-diphosphate	HMDB
Glucose 1,6-bisphosphate	HMDB
Glucose 1,6-diphosphate	HMDB
beta-D-Glucose 1,6-(bis)phosphate	HMDB
Glucose-1,6-diphosphate	HMDB
Glucose-1,6-bisphosphate	HMDB
alpha-Glucose 1,6-diphosphate	HMDB
Α-D-glucose 1,6-diphosphate	HMDB
Α-glucose 1,6-diphosphate	HMDB
alpha-D-Glucose 1,6-bisphosphate	HMDB

Chemical Formula

C₆H₁₄O₁₂P₂

Average Molecular Weight

340.1157

Monoisotopic Molecular Weight

339.996048936

IUPAC Name

{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}phosphonic acid

Traditional Name

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxyphosphonic acid

CAS Registry Number

10139-18-1

SMILES

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

InChI Identifier

InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1

InChI Key

RWHOZGRAXYWRNX-VFUOTHLCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose 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

Hexose phosphates

Alternative Parents

Substituents

Hexose phosphate
Monosaccharide phosphate
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Oxane
Organic phosphoric acid derivative
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Organic oxide
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-glucose 1,6-bisphosphate (CHEBI:18148 )

Ontology

Not Available

Non-excretory biofluid

Blood (PMID: 31557052)

Process

Not Available

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	-4.374	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	16 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-3.2	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	57.67 m³·mol⁻¹	ChemAxon
Polarizability	24.96 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	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]+	174.457	31661259
DarkChem	[M-H]-	165.156	31661259
DeepCCS	[M+H]+	152.922	30932474
DeepCCS	[M-H]-	150.526	30932474
DeepCCS	[M-2H]-	185.252	30932474
DeepCCS	[M+Na]+	160.082	30932474
AllCCS	[M+H]+	170.6	32859911
AllCCS	[M+H-H2O]+	167.6	32859911
AllCCS	[M+NH4]+	173.4	32859911
AllCCS	[M+Na]+	174.2	32859911
AllCCS	[M-H]-	159.5	32859911
AllCCS	[M+Na-2H]-	159.6	32859911
AllCCS	[M+HCOO]-	159.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
alpha-D-Glucose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O	3114.8	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O	2362.2	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O	2875.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
alpha-D-Glucose 1,6-bisphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O	2467.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2488.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1OP(=O)(O)O	2486.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-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](O)[C@@H]1O	2635.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O	2551.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-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](O)[C@H]1O[Si](C)(C)C	2420.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	2632.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #11	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](O)[C@@H]1O	2644.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #12	C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2535.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2425.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	2549.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2479.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O)O	2432.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #6	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](O)[C@H]1O	2564.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #7	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](O)[C@H]1O	2491.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	2570.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2495.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2417.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2476.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #11	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](O)[C@H]1O	2513.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #12	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](O)[C@H]1O	2520.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #13	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](O)[C@H]1O	2415.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	2508.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2530.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2429.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #17	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](O)[C@H]1O	2594.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #18	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](O)[C@@H]1O	2559.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,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](O)[C@H]1O[Si](C)(C)C	2468.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,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](O)[C@H]1O[Si](C)(C)C	2423.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2479.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2427.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	2512.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2521.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2426.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2437.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2484.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2573.9	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	3681.6	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[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	2531.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[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	2646.4	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[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	3439.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2470.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2646.4	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	3576.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2527.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2599.4	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3554.9	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2521.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2636.8	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3511.7	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #14	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](O)[C@H]1O	2529.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #14	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](O)[C@H]1O	2633.1	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #14	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](O)[C@H]1O	3441.9	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #15	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](O)[C@H]1O	2505.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #15	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](O)[C@H]1O	2645.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #15	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](O)[C@H]1O	3470.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2533.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2634.5	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	3468.4	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2518.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2648.7	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3485.8	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #18	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](O)[C@@H]1O)O[Si](C)(C)C	2533.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #18	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](O)[C@@H]1O)O[Si](C)(C)C	2667.7	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #18	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](O)[C@@H]1O)O[Si](C)(C)C	3353.2	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2457.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2579.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3715.8	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	2512.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	2621.6	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	3508.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	2519.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	2585.4	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	3552.0	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	2453.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	2631.4	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,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](O)[C@H]1O[Si](C)(C)C	3577.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[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	2517.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[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	2613.9	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[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	3549.4	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[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	2520.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[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	2580.4	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[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	3579.0	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[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	2463.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[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	2626.9	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[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	3600.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[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	2555.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[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	2631.2	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[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	3420.9	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2526.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2603.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	3346.0	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2583.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2626.7	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3259.9	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #11	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](O)[C@H]1O	2577.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #11	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](O)[C@H]1O	2656.1	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #11	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](O)[C@H]1O	3204.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2584.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2662.2	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3225.9	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2538.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2573.1	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	3399.9	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2494.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2615.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	3401.8	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,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](O)[C@H]1O[Si](C)(C)C	2572.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,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](O)[C@H]1O[Si](C)(C)C	2608.3	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,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](O)[C@H]1O[Si](C)(C)C	3262.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,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](O)[C@H]1O[Si](C)(C)C	2553.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,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](O)[C@H]1O[Si](C)(C)C	2616.6	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,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](O)[C@H]1O[Si](C)(C)C	3291.4	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[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	2580.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[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	2602.3	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[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	3295.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[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	2564.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[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	2611.6	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[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	3312.2	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[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	2605.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[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	2650.7	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[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	3183.8	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2566.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2634.9	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,5TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3287.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2587.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2606.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	3139.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2582.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2612.3	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	3164.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,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](O)[C@H]1O[Si](C)(C)C	2606.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,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](O)[C@H]1O[Si](C)(C)C	2632.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,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](O)[C@H]1O[Si](C)(C)C	3052.1	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[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	2612.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[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	2632.6	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[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	3077.4	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2617.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2650.7	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,6TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3044.4	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2655.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2653.8	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,7TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[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	2990.7	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O	2707.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,1TBDMS,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)[C@H](O)[C@H]1O	2724.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1OP(=O)(O)O	2717.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-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](O)[C@@H]1O	2879.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O	2797.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-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](O)[C@H]1O[Si](C)(C)C(C)(C)C	2812.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3051.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #11	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](O)[C@@H]1O	3061.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2950.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2818.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](OP(=O)(O)O)[C@@H]1O	2934.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2883.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O)O	2819.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #6	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](O)[C@H]1O	2944.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #7	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](O)[C@H]1O	2882.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1OP(=O)(O)O	2942.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2884.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	3006.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3076.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #11	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](O)[C@H]1O	3118.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #12	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](O)[C@H]1O	3124.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #13	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](O)[C@H]1O	3049.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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[C@@H]1OP(=O)(O)O	3116.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3132.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3061.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #17	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](O)[C@H]1O	3200.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #18	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](O)[C@@H]1O	3171.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3063.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3034.0	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3078.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3042.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3123.6	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3133.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3054.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3045.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3301.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3318.1	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3843.0	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3318.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3318.6	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3674.0	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3262.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3345.6	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3782.7	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3323.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3325.4	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3742.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3324.8	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3341.2	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3728.1	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #14	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](O)[C@H]1O	3334.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #14	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](O)[C@H]1O	3314.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #14	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](O)[C@H]1O	3676.1	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #15	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](O)[C@H]1O	3302.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #15	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](O)[C@H]1O	3322.1	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #15	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](O)[C@H]1O	3699.0	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3340.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3326.3	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3700.2	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3315.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3336.5	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3711.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #18	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](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3352.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #18	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](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3328.8	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #18	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](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3631.4	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3266.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3308.2	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3874.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3316.9	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3322.2	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3730.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3314.2	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3302.8	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3744.8	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3249.7	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3319.6	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,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](O)[C@H]1O[Si](C)(C)C(C)(C)C	3787.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3329.1	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3309.2	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3761.5	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3319.3	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3294.1	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3764.3	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3255.5	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3313.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3802.7	Standard polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3353.4	Semi standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3310.0	Standard non polar	33892256
alpha-D-Glucose 1,6-bisphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3660.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-D-Glucose 1,6-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9422000000-7bfff1b0b2d51cca5dff	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-D-Glucose 1,6-bisphosphate GC-MS (3 TMS) - 70eV, Positive	splash10-0fr5-7922130000-d6ba2057c5f43a10b976	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-D-Glucose 1,6-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - alpha-D-Glucose 1,6-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
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate LC-ESI-QTOF , negative-QTOF	splash10-002f-9182000000-23bca820b90a45f17acb	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-00dl-0089000000-14b2732dbc26e1c46650	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-03di-0090000000-eff1032954c312ffe781	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 4V, positive-QTOF	splash10-03di-0019000000-b6e1680b5b949ae7c8f6	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 6V, positive-QTOF	splash10-03xr-0069000000-63772b51257cee2af15a	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 9V, positive-QTOF	splash10-014i-0092000000-65fab63b500e60a0ea01	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 14V, positive-QTOF	splash10-014i-0190000000-bfbcf573cf5f756927f9	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 19V, positive-QTOF	splash10-01b9-0790000000-757dcf8e67df0907f65a	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 24V, positive-QTOF	splash10-00di-0920000000-18f7c04ce401fda68354	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-014i-0090000000-e9698a8c472de2ec65b3	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-00fr-0930000000-7f0cb15d50e589a9640f	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-0002-0910000000-4a92067b100f48729122	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-0002-0390000000-c8d4b6af4a7e1dbc6766	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-004i-0069000000-b2d82f85ee47b9928a9c	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate n/a 23V, positive-QTOF	splash10-004i-0091000000-e9e211cdeab0d7aab3ab	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 4V, positive-QTOF	splash10-014i-0000900000-386775c642a8d4f6b7b3	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 7V, positive-QTOF	splash10-014i-0004900000-249416017fe86caa0eb1	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 10V, positive-QTOF	splash10-014i-0109200000-91fd1405fb3d3ce23e3d	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate Orbitrap 16V, positive-QTOF	splash10-014i-0309000000-71838f11ad810bfe78ac	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate 10V, Positive-QTOF	splash10-0006-2169000000-7496db21481f5c6646f1	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate 20V, Positive-QTOF	splash10-0007-8194000000-0ab11c338e7462b1784e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate 40V, Positive-QTOF	splash10-0002-9710000000-04febc887536086e1a99	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate 10V, Negative-QTOF	splash10-002r-7319000000-8f0f5f6bb5550e944766	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate 20V, Negative-QTOF	splash10-004i-9000000000-e67858a197b35311ba75	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - alpha-D-Glucose 1,6-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-44fd1ff1d686ff20aa4f	2015-09-15	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Starch and Sucrose Metabolism
Glycogen synthetase deficiency		Not Available
Glycogenosis, Type III. Cori disease, Debrancher glycogenosis		Not Available
Glycogenosis, Type IV. Amylopectinosis, Anderson disease		Not Available
Glycogenosis, Type VI. Hers disease		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	98.0 +/- 17.0 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB02835

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023185

KNApSAcK ID

Not Available

Chemspider ID

74362

KEGG Compound ID

C01231

BioCyc ID

ALPHA-GLUCOSE-16-BISPHOSPHATE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

82400

PDB ID

Not Available

ChEBI ID

18148

Food Biomarker Ontology

Not Available

VMH ID

M01966

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Yamada Y, Kono N, Nakajima H, Shimizu T, Kiyokawa H, Kawachi M, Ono A, Nishimura T, Kuwajima M, Tarui S: Low glucose-1, 6-bisphosphate and high fructose-2, 6-bisphosphate concentrations in muscles of patients with glycogenosis types VII and V. Biochem Biophys Res Commun. 1991 Apr 15;176(1):7-10. [PubMed:2018547 ]
Cadefau JA, Andres V, Carreras J, Vernet M, Grau JM, Urbano-Marquez A, Cusso R: Glucose 1,6-bisphosphate and fructose 2,6-bisphosphate in muscle from healthy humans and chronic alcoholic patients. Alcohol Alcohol. 1992 May;27(3):253-6. [PubMed:1449560 ]
Katz A, Sahlin K, Broberg S: Regulation of glucose utilization in human skeletal muscle during moderate dynamic exercise. Am J Physiol. 1991 Mar;260(3 Pt 1):E411-5. [PubMed:2003594 ]
Katz A: G-1,6-P2, glycolysis, and energy metabolism during circulatory occlusion in human skeletal muscle. Am J Physiol. 1988 Aug;255(2 Pt 1):C140-4. [PubMed:3407759 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details

1. Phosphomannomutase 2

General function:: Involved in catalytic activity
Specific function:: Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions (By similarity).
Gene Name:: PMM2
Uniprot ID:: O15305
Molecular weight:: 28081.925

Enzyme Details

2. Cytochrome c oxidase subunit 5A, mitochondrial

General function:: Involved in cytochrome-c oxidase activity
Specific function:: This is the heme A-containing chain of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport
Gene Name:: COX5A
Uniprot ID:: P20674
Molecular weight:: 16762.0

Enzyme Details

3. Phosphoglucomutase-2

General function:: Involved in intramolecular transferase activity, phosphotransferases
Specific function:: Catalyzes the conversion of the nucleoside breakdown products ribose-1-phosphate and deoxyribose-1-phosphate to the corresponding 5-phosphopentoses. May also catalyze the interconversion of glucose-1-phosphate and glucose-6-phosphate. Has low glucose 1,6-bisphosphate synthase activity.
Gene Name:: PGM2
Uniprot ID:: Q96G03
Molecular weight:: 68282.765

Enzyme Details

4. Glucose 1,6-bisphosphate synthase

General function:: Involved in intramolecular transferase activity, phosphotransferases
Specific function:: Glucose 1,6-bisphosphate synthase using 1,3-bisphosphoglycerate as a phosphate donor and a series of 1-phosphate sugars as acceptors, including glucose 1-phosphate, mannose 1-phosphate, ribose 1-phosphate and deoxyribose 1-phosphate. 5 or 6-phosphosugars are bad substrates, with the exception of glucose 6-phosphate. Also synthesizes ribose 1,5-bisphosphate. Has only low phosphopentomutase and phosphoglucomutase activities.
Gene Name:: PGM2L1
Uniprot ID:: Q6PCE3
Molecular weight:: 70441.085

Reactions

Glyceric acid 1,3-biphosphate + Glucose 1-phosphate → 3-Phosphoglyceric acid + alpha-D-Glucose 1,6-bisphosphate	details

Showing metabocard for alpha-D-Glucose 1,6-bisphosphate (HMDB0003514)

MOL for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

3D MOL for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

3D SDF for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

3D-SDF for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

PDB for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

3D PDB for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

SMILES for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

INCHI for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

Structure for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

3D Structure for HMDB0003514 (alpha-D-Glucose 1,6-bisphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions