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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (14) Show 14 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:39:07 UTC

HMDB ID

HMDB0001058

Secondary Accession Numbers

HMDB0003973
HMDB0060444
HMDB01058
HMDB03973
HMDB60444

Metabolite Identification

Common Name

Fructose 1,6-bisphosphate

Description

Fructose 1,6-bisphosphate is fructose sugar or fructosephosphate that has been phosphorylated on carbons 1 and 6. The beta-D-form of this compound is very common in cells. The vast majority of glucose and fructose entering a cell is converted to fructose 1,6-bisphosphate at some point. Fructose 1,6-bisphosphate is a key component in the glycolysis metabolic pathway and is produced by phosphorylation of fructose 6-phosphate The enzyme phosphofructokinase uses ATP to transfer a phosphate group to fructose 6-phosphate to form fructose 1, 6-bisphosphate fructose. The enzyme aldolase splits fructose 1,6-bisphosphate into two sugars that are isomers of each other. These two sugars are dihydroxyacetone phosphate and glyceraldehyde phosphate. Fructose 1,6-bisphosphate is an allosteric activator of pyruvate kinase.

Structure

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

HMDB0001058
     RDKit          3D
Fructose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8067    2.0343   -0.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    1.2133    0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.9426    0.6167   -0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    2.1544    1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342   -0.0231    1.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.9483    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -1.2396    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2250   -0.1382    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    0.0419   -0.1216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9493    1.4158   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.5065    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.0058   -0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.1170    0.2223 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.7097    2.5389   -0.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    0.9852    1.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220    0.9066   -0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5490   -1.3962 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7436    0.3061   -1.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7753   -0.8497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3945   -2.8241   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.4239   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    2.9066    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.9030    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761   -0.6322   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -1.9874    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.4885   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3126   -0.1577    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.6034    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188    0.2811    2.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8957    0.0425   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -0.7919   -2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    1.2337   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -2.1069   -1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -3.5141   -1.2881 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  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  9 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
 10 26  1  0
 11 27  1  0
 11 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  6
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END


  Mrv1652309042000172D          

 20 20  0  0  0  0            999 V2000
10001.388910000.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.104110000.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.821310000.5774    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.405810001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.536410000.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.232610001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.3042 9999.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8763 9998.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0837 9998.7234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.615910000.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.897910000.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.181710000.5774    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9997.596110001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.463510000.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.769410001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.997810000.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.330410000.1747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.5853 9999.3901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.4103 9999.3901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.665210000.1747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
  1 20  1  0  0  0  0
 20  7  1  1  0  0  0
 17 10  1  1  0  0  0
 18  9  1  6  0  0  0
 19  8  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0001058

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1

> <INCHI_KEY>
RNBGYGVWRKECFJ-ARQDHWQXSA-N

> <FORMULA>
C6H14O12P2

> <MOLECULAR_WEIGHT>
340.1157

> <EXACT_MASS>
339.996048936

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
25.7026361336695

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.51

> <JCHEM_LOGP>
-3.0051313806666666

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.4935700215596834

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8894221949103738

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686727898823656

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
58.10660000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.61e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001058
     RDKit          3D
Fructose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8067    2.0343   -0.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    1.2133    0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.9426    0.6167   -0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    2.1544    1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342   -0.0231    1.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.9483    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -1.2396    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2250   -0.1382    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    0.0419   -0.1216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9493    1.4158   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.5065    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.0058   -0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.1170    0.2223 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.7097    2.5389   -0.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    0.9852    1.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220    0.9066   -0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5490   -1.3962 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7436    0.3061   -1.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7753   -0.8497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3945   -2.8241   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.4239   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    2.9066    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.9030    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761   -0.6322   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -1.9874    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.4885   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3126   -0.1577    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.6034    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188    0.2811    2.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8957    0.0425   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -0.7919   -2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    1.2337   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -2.1069   -1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -3.5141   -1.2881 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  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  9 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
 10 26  1  0
 11 27  1  0
 11 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  6
 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    8669.2598667.744   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8670.5948666.977   0.000  0.00  0.00           O+0
HETATM    3  P   UNK     0    8671.9338667.744   0.000  0.00  0.00           P+0
HETATM    4  O   UNK     0    8671.1578669.083   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8673.2688666.977   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8672.7018669.083   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8669.1018665.984   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8668.3028664.269   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8664.9568664.284   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0    8664.0838667.744   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8662.7438666.977   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0    8661.4068667.744   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0    8662.1798669.083   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8660.0658666.973   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8660.6368669.083   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8666.6638667.898   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    8665.4178666.993   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8665.8938665.528   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8667.4338665.528   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8667.9088666.993   0.000  0.00  0.00           C+0
CONECT    1    2   20                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3                                                            
CONECT    7   20                                                            
CONECT    8   19                                                            
CONECT    9   18                                                            
CONECT   10   11   17                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12                                                            
CONECT   16   17   20                                                       
CONECT   17   18   16   10                                                  
CONECT   18   17   19    9                                                  
CONECT   19   18   20    8                                                  
CONECT   20   19   16    1    7                                             
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0001058
HETATM    1  O1  UNL     1       2.807   2.034  -0.385  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.778   1.213   0.419  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.943   0.617  -0.665  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.592   2.154   1.549  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.934  -0.023   1.181  1.00  0.00           O  
HETATM    6  C1  UNL     1       2.441  -0.948   0.282  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.972  -1.240   0.462  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.225  -0.138   0.803  1.00  0.00           O  
HETATM    9  C3  UNL     1      -0.778   0.042  -0.122  1.00  0.00           C  
HETATM   10  O6  UNL     1      -0.949   1.416  -0.344  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.109  -0.506   0.296  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.100  -0.006  -0.547  1.00  0.00           O  
HETATM   13  P2  UNL     1      -4.093   1.117   0.222  1.00  0.00           P  
HETATM   14  O8  UNL     1      -3.710   2.539  -0.153  1.00  0.00           O  
HETATM   15  O9  UNL     1      -3.892   0.985   1.902  1.00  0.00           O  
HETATM   16  O10 UNL     1      -5.722   0.907  -0.174  1.00  0.00           O  
HETATM   17  C5  UNL     1      -0.250  -0.549  -1.396  1.00  0.00           C  
HETATM   18  O11 UNL     1       0.744   0.306  -1.870  1.00  0.00           O  
HETATM   19  C6  UNL     1       0.467  -1.775  -0.850  1.00  0.00           C  
HETATM   20  O12 UNL     1      -0.395  -2.824  -0.592  1.00  0.00           O  
HETATM   21  H1  UNL     1       5.303   1.424  -1.128  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.049   2.907   1.104  1.00  0.00           H  
HETATM   23  H3  UNL     1       2.986  -1.903   0.457  1.00  0.00           H  
HETATM   24  H4  UNL     1       2.676  -0.632  -0.765  1.00  0.00           H  
HETATM   25  H5  UNL     1       0.875  -1.987   1.275  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.407   1.489  -1.227  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.313  -0.158   1.327  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.168  -1.603   0.309  1.00  0.00           H  
HETATM   29  H9  UNL     1      -4.519   0.281   2.224  1.00  0.00           H  
HETATM   30  H10 UNL     1      -5.896   0.042  -0.632  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.015  -0.792  -2.141  1.00  0.00           H  
HETATM   32  H12 UNL     1       0.639   1.234  -1.511  1.00  0.00           H  
HETATM   33  H13 UNL     1       1.292  -2.107  -1.518  1.00  0.00           H  
HETATM   34  H14 UNL     1      -0.407  -3.514  -1.288  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   11   17
CONECT   10   26
CONECT   11   12   27   28
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   29
CONECT   16   30
CONECT   17   18   19   31
CONECT   18   32
CONECT   19   20   33
CONECT   20   34
END

HMDB0001058
     RDKit          3D
Fructose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8067    2.0343   -0.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    1.2133    0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.9426    0.6167   -0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    2.1544    1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342   -0.0231    1.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.9483    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -1.2396    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2250   -0.1382    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    0.0419   -0.1216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9493    1.4158   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.5065    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.0058   -0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.1170    0.2223 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.7097    2.5389   -0.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    0.9852    1.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220    0.9066   -0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5490   -1.3962 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7436    0.3061   -1.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7753   -0.8497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3945   -2.8241   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.4239   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    2.9066    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.9030    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761   -0.6322   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -1.9874    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.4885   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3126   -0.1577    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.6034    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188    0.2811    2.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8957    0.0425   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -0.7919   -2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    1.2337   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -2.1069   -1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -3.5141   -1.2881 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  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  9 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
 10 26  1  0
 11 27  1  0
 11 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  6
 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
1,6-Di-O-phosphono-beta-D-fructofuranose	ChEBI
BETA FRUCTOSE 1,6-diphosphATE	ChEBI
beta-D-Fructose 1,6-bisphosphate	ChEBI
Fosfructose	ChEBI
1,6-Di-O-phosphono-b-D-fructofuranose	Generator
1,6-Di-O-phosphono-β-D-fructofuranose	Generator
b FRUCTOSE 1,6-diphosphate	Generator
b FRUCTOSE 1,6-diphosphoric acid	Generator
beta FRUCTOSE 1,6-diphosphoric acid	Generator
Β fructose 1,6-diphosphate	Generator
Β fructose 1,6-diphosphoric acid	Generator
b-D-Fructose 1,6-bisphosphate	Generator
b-D-Fructose 1,6-bisphosphoric acid	Generator
beta-D-Fructose 1,6-bisphosphoric acid	Generator
Β-D-fructose 1,6-bisphosphate	Generator
Β-D-fructose 1,6-bisphosphoric acid	Generator
Fructose 1,6-bisphosphoric acid	Generator
Fructose-1,6-diphosphate	HMDB
Fructose-1,6-diphosphate, calcium salt	HMDB
Fructose-1,6-diphosphate, disodium salt	HMDB
Fructose-1,6-diphosphate, trisodium salt	HMDB
Fructose-1,6-diphosphate, 2-(18)O-labeled	HMDB
Fructose-1,6-diphosphate, calcium (1:2) salt	HMDB
Fructose-1,6-diphosphate, monosodium salt	HMDB
Strontium fructose 1,6-diphosphate	HMDB
SR-FDP	HMDB
Fructose 1,6-diphosphate	HMDB
Fructose-1,6-diphosphate, (L)-isomer	HMDB
Fructose-1,6-diphosphate, (alpha-D)-isomer	HMDB
Fructose-1,6-diphosphate, barium (1:2) salt	HMDB
Fructose-1,6-diphosphate, sodium salt, monohydrate	HMDB
Fructose-1,6-diphosphate, tetrasodium salt	HMDB
Strontium fructose-1,6-diphosphate	HMDB
Fructose-1,6-diphosphate magnesium salt	HMDB
Fructose-1,6-diphosphate, (beta-D)-isomer	HMDB
Fructose-1,6-diphosphate, tetrapotassium salt	HMDB
D-Fructose 1,6-biphosphate	HMDB
D-Fructose 1,6-bisphosphate	HMDB
D-Fructose 1,6-diphosphate	HMDB
Diphosphofructose	HMDB
Fructose 1,6-bis(dihydrogen phosphate)	HMDB
beta-D-Fructofuranose 1,6-bisphosphate	HMDB
beta-D-Fructofuranose 1,6-diphosphate	HMDB
beta-D-Fructose 1,6-diphosphate	HMDB
Β-D-fructofuranose 1,6-bisphosphate	HMDB
Β-D-fructofuranose 1,6-diphosphate	HMDB
Β-D-fructose 1,6-diphosphate	HMDB
Fructose 1,6-bisphosphate	MeSH
b-D-Fructofuranose 1,6-bisphosphate	Generator
b-D-Fructofuranose 1,6-bisphosphoric acid	Generator
beta-D-Fructofuranose 1,6-bisphosphoric acid	Generator
Β-D-fructofuranose 1,6-bisphosphoric acid	Generator

Chemical Formula

C₆H₁₄O₁₂P₂

Average Molecular Weight

340.1157

Monoisotopic Molecular Weight

339.996048936

IUPAC Name

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

Traditional Name

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

CAS Registry Number

34693-15-7

SMILES

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

InChI Identifier

InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1

InChI Key

RNBGYGVWRKECFJ-ARQDHWQXSA-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
Pentose phosphate
Pentose-5-phosphate
C-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Pentose monosaccharide
Monoalkyl phosphate
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Tetrahydrofuran
1,2-diol
Hemiacetal
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-fructofuranose 1,6-bisphosphate (CHEBI:28013 )

Ontology

Not Available

Blood (HMDB: HMDB0001058)

Organ

Placenta (HMDB: HMDB0001058)

Non-excretory biofluid

Biofluid or Excreta

Cellular Cytoplasm (PMID: 15882454)
Blood (HMDB: HMDB0001058)

Cellular substructure

Cytoplasm (HMDB: HMDB0001058)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0001058)

Source

Endogenous

Endogenous (HMDB: HMDB0001058)

Plant

Animal

Animal (HMDB: HMDB0001058)

Exogenous

Food

Food (HMDB: HMDB0001058)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

Allium (FooDB: FOOD00005)
Garden onion (FooDB: FOOD00006)
Leek (FooDB: FOOD00007)
Garden onion (var.) (FooDB: FOOD00226)
Shallot (FooDB: FOOD00243)
Wild leek (FooDB: FOOD00396)
Red onion (FooDB: FOOD00962)
Green onion (FooDB: FOOD00963)
Onion-family vegetables (FooDB: FOOD00855)

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)
Rocket salad (FooDB: FOOD00244)
Green vegetables (FooDB: FOOD00872)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)
Citrus (FooDB: FOOD00859)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Fruits (FooDB: FOOD00871)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)
Mixed nuts (FooDB: FOOD00771)
Nuts (FooDB: FOOD00869)

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)
Pulses (FooDB: FOOD00867)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Fructose and Mannose Degradation (HMDB: HMDB0001058)
Pentose Phosphate Pathway (HMDB: HMDB0001058)
Glycolysis (HMDB: HMDB0001058)
Gluconeogenesis (HMDB: HMDB0001058)
Warburg Effect (PathBank: SMP0087527)
Glycolysis and Pyruvate Dehydrogenase (PathBank: SMP0000807)
Gluconeogenesis from L-Malic Acid (PathBank: SMP0000839)
Fructose Metabolism (PathBank: SMP0000930)
Glycerol Metabolism (PathBank: SMP0000931)
Glycerol Metabolism II (PathBank: SMP0000932)
Glycerol Metabolism III (sn-Glycero-3-Phosphoethanolamine) (PathBank: SMP0000933)
Glycerol Metabolism IV (Glycerophosphoglycerol) (PathBank: SMP0000934)
Glycerol Metabolism V (Glycerophosphoserine) (PathBank: SMP0000935)
Starch and Sucrose Metabolism (PathBank: SMP0000958)
Secondary Metabolites: Trehalose Biosynthesis and Metabolism (PathBank: SMP0000984)
Glycolysis I (PathBank: SMP0002312)
Ethanol Fermentation (PathBank: SMP0002356)
Gluconeogenesis from L-Malic Acid (PathBank: SMP0002413)
Photosynthesis (PathBank: SMP0012089)
Calvin-Benson Cycle (PathBank: SMP0012094)

Fructose and Mannose Degradation (HMDB: HMDB0001058)

Disease pathway

Glycogenosis, Type IB (PathBank: SMP0120856)
Glycogenosis, Type IC (PathBank: SMP0120857)
Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease (PathBank: SMP0000374)
Glucose-6-phosphate Dehydrogenase Deficiency (PathBank: SMP0000518)
Ribose-5-phosphate Isomerase Deficiency (PathBank: SMP0000519)
Transaldolase Deficiency (PathBank: SMP0000520)
Glycogenosis, Type VII. Tarui Disease (PathBank: SMP0000531)
Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1) (PathBank: SMP0000560)
Fructosuria (PathBank: SMP0000561)
Fructose-1,6-diphosphatase Deficiency (PathBank: SMP0000562)
Triosephosphate Isomerase (PathBank: SMP0000563)
Fanconi-Bickel Syndrome (PathBank: SMP0000572)
Glycogenosis, Type IA. Von Gierke Disease (PathBank: SMP0000581)
Fructose Intolerance, Hereditary (PathBank: SMP0000725)

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001058)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	94 mg/mL	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Astarita_neg	150.3	30932474
[M-H]-	Not Available	157.509	http://allccs.zhulab.cn/database/detail?ID=AllCCS00001809

Predicted Molecular Properties

Property	Value	Source
Water Solubility	16.1 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-3	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	-3.7	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	6	ChemAxon
Refractivity	58.11 m³·mol⁻¹	ChemAxon
Polarizability	25.7 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]+	172.673	31661259
DarkChem	[M-H]-	164.472	31661259
AllCCS	[M+H]+	169.579	32859911
AllCCS	[M-H]-	160.44	32859911
DeepCCS	[M+H]+	159.595	30932474
DeepCCS	[M-H]-	157.237	30932474
DeepCCS	[M-2H]-	190.277	30932474
DeepCCS	[M+Na]+	165.688	30932474
AllCCS	[M+H]+	169.6	32859911
AllCCS	[M+H-H2O]+	166.6	32859911
AllCCS	[M+NH4]+	172.3	32859911
AllCCS	[M+Na]+	173.1	32859911
AllCCS	[M-H]-	160.4	32859911
AllCCS	[M+Na-2H]-	160.5	32859911
AllCCS	[M+HCOO]-	160.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Fructose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O	3118.4	Standard polar	33892256
Fructose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O	2259.1	Standard non polar	33892256
Fructose 1,6-bisphosphate	O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O	2844.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Fructose 1,6-bisphosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O	2635.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O)O	2658.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TMS,isomer #3	C[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2684.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2737.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	2745.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,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@]1(O)COP(=O)(O)O	2598.7	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@@]1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	2703.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2785.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	2723.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2617.3	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2660.3	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2681.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C	2649.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@]1(O)COP(=O)(O)O	2717.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C	2695.8	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #8	C[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2712.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TMS,isomer #9	C[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2728.3	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C	2584.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2652.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #11	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@]1(O)COP(=O)(O)O	2706.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C	2713.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2669.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #14	C[Si](C)(C)O[C@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2655.7	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #15	C[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2722.3	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #16	C[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2684.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2702.3	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2712.7	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,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@]1(O)COP(=O)(O)O	2644.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,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@]1(O)COP(=O)(O)O[Si](C)(C)C	2612.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2622.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2646.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2627.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2679.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2659.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C	2680.1	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C	2634.7	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C	2526.1	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C	3604.4	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2682.3	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2542.1	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3361.9	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #11	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@@]1(COP(=O)(O)O)O[Si](C)(C)C	2681.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #11	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@@]1(COP(=O)(O)O)O[Si](C)(C)C	2590.2	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #11	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@@]1(COP(=O)(O)O)O[Si](C)(C)C	3471.2	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2694.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2540.2	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3510.6	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2643.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2573.9	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3518.5	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #14	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@]1(O)COP(=O)(O)O[Si](C)(C)C	2715.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #14	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@]1(O)COP(=O)(O)O[Si](C)(C)C	2554.1	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #14	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@]1(O)COP(=O)(O)O[Si](C)(C)C	3328.5	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2710.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2555.4	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3344.6	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2699.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2587.0	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #16	C[Si](C)(C)O[C@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3429.2	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2704.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2586.0	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #17	C[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3410.5	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	2694.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	2617.4	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	3277.3	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2604.8	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2512.4	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3645.3	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #3	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@]1(O)COP(=O)(O)O	2640.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #3	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@]1(O)COP(=O)(O)O	2542.3	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #3	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@]1(O)COP(=O)(O)O	3401.1	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C	2666.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C	2495.9	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C	3446.9	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2601.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2531.2	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3463.4	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2610.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2564.6	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	3522.9	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2674.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2527.8	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3505.1	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2645.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2578.3	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3456.2	Standard polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2677.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2543.7	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3385.7	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C	2641.2	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C	2513.2	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C	3276.4	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2723.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2521.6	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3236.9	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #11	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2734.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #11	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2520.3	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #11	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3102.0	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	2731.3	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	2543.9	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #12	C[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3175.7	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2676.8	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2490.7	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3325.4	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2611.0	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2504.9	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3318.5	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C	2686.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C	2479.8	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C	3164.5	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #5	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2687.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #5	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2480.3	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #5	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3182.9	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2698.8	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2509.2	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3236.5	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(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	2697.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(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	2509.7	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(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	3214.6	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=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	2715.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=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	2511.9	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=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	3131.7	Standard polar	33892256
Fructose 1,6-bisphosphate,5TMS,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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2729.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2523.5	Standard non polar	33892256
Fructose 1,6-bisphosphate,5TMS,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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3229.8	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2695.7	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2497.1	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3068.6	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2693.2	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2499.6	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3076.9	Standard polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #3	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2717.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #3	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2476.3	Standard non polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #3	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@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2956.5	Standard polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)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	2721.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)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	2501.0	Standard non polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)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	3003.5	Standard polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #5	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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2755.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #5	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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2514.6	Standard non polar	33892256
Fructose 1,6-bisphosphate,6TMS,isomer #5	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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3009.7	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2726.1	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2524.1	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2915.8	Standard polar	33892256
Fructose 1,6-bisphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O	2863.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O)O	2892.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2899.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2947.7	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	2962.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,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@]1(O)COP(=O)(O)O	2990.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@]1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3087.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3163.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3121.8	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	2987.7	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3053.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3074.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3009.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #6	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@]1(O)COP(=O)(O)O	3097.8	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3073.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	3068.8	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3097.5	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3155.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3209.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #11	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@]1(O)COP(=O)(O)O	3272.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #12	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3287.3	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3231.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3234.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3290.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3274.8	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3294.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3305.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,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[Si](C)(C)C(C)(C)C)O[C@]1(O)COP(=O)(O)O	3235.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #3	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3212.6	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3198.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3223.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3219.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3278.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3259.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,3TBDMS,isomer #9	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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3233.4	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3428.6	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3241.3	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3755.3	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3444.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3196.3	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3605.4	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #11	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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3444.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #11	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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3254.1	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #11	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@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3692.7	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #12	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@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3450.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #12	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@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3243.9	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #12	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@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3700.8	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3408.0	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3244.1	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3726.9	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #14	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3461.1	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #14	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3209.0	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #14	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3584.7	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #15	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@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3454.5	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #15	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@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3210.5	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #15	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@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3592.1	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3452.7	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3234.7	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3660.1	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3460.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3232.4	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@]1(COP(=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](O)[C@@H]1O	3650.6	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=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	3443.7	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=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	3211.2	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@](O)(COP(=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	3568.8	Standard polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3404.6	Semi standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3230.3	Standard non polar	33892256
Fructose 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@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3792.3	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #3	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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@]1(O)COP(=O)(O)O	3436.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #3	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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@]1(O)COP(=O)(O)O	3213.6	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #3	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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@]1(O)COP(=O)(O)O	3627.4	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3443.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3201.4	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #4	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@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3641.5	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #5	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@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3402.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #5	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@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3204.9	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #5	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@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3677.0	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3403.2	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3230.4	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3727.7	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3440.4	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3221.3	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3689.7	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3437.9	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3236.7	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3673.6	Standard polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3436.8	Semi standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3200.9	Standard non polar	33892256
Fructose 1,6-bisphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3621.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Fructose 1,6-bisphosphate GC-MS (7 TMS)	splash10-014i-0497100000-d0c0dfadfe65ee3cc4e5	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Fructose 1,6-bisphosphate GC-MS (1 MEOX; 7 TMS)	splash10-014r-1779100000-ba60994aacef73cf8691	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Fructose 1,6-bisphosphate GC-MS (1 MEOX; 7 TMS)	splash10-014r-0779100000-b52ccd042ce4169961ed	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructose 1,6-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-01xt-9532000000-c3c4929a4987e34c0dc0	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructose 1,6-bisphosphate GC-MS (3 TMS) - 70eV, Positive	splash10-03fs-9412510000-0a0a9e96cc6bea61e3c7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructose 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 - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-0006-0190000000-95a4b5217606c0b9d1fb	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-0002-0900000000-74a1700e0fae0f6aa64e	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 6V, negative-QTOF	splash10-000i-0009000000-631b4fa683b46f4c89cb	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 8V, negative-QTOF	splash10-000i-1009000000-9df66c58adba653741e0	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 10V, negative-QTOF	splash10-000j-7129000000-f1414a0a896a7c132d2d	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 14V, negative-QTOF	splash10-0002-9111000000-0fc51e8f6b123f0a5982	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 18V, negative-QTOF	splash10-0002-9100000000-762070874ad885772dc4	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 21V, negative-QTOF	splash10-0002-9100000000-d705002b3a24c5b5ac0f	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 25V, negative-QTOF	splash10-002b-9000000000-caf9814ab914b2093561	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 29V, negative-QTOF	splash10-004j-9000000000-3b04f1a6a67ed239b001	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 33V, negative-QTOF	splash10-004i-9000000000-388ef99a8af7f88e6447	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate Orbitrap 41V, negative-QTOF	splash10-004i-9000000000-bc85bd9d38f2c4bf3c58	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-0006-0190000000-ba22a78fbbfc1a90ace3	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-0a4i-0900000000-b559d4679fc0eaa79be7	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-0002-9530000000-8e5076b641ebc42fb2ef	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-0fdk-9870000000-6332e12e884d56a6c22b	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Fructose 1,6-bisphosphate n/a 23V, negative-QTOF	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1,6-bisphosphate 10V, Positive-QTOF	splash10-0007-6469000000-934f8ed1edcbd28bc667	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1,6-bisphosphate 20V, Positive-QTOF	splash10-006y-7295000000-a5ca0806e65ba8c99e88	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1,6-bisphosphate 40V, Positive-QTOF	splash10-0005-9700000000-02fcc2f4b95b801c5949	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1,6-bisphosphate 10V, Negative-QTOF	splash10-002r-8509000000-2992f67772e061c3ffe5	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1,6-bisphosphate 20V, Negative-QTOF	splash10-004i-9000000000-9ac5383c77bff5f6cb96	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1,6-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-9d902dae0eabfe2165da	2015-09-15	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

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Cellular Cytoplasm

Tissue Locations

Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Glycolysis
Gluconeogenesis
Fructose and mannose metabolism	Not Available
pentose phosphate pathway	Not Available	Not Available
Fructosuria		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	3.8 +/- 0.7 uM	Newborn (0-30 days old)	Both	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	1.2 +/- 0.4 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Cellular Cytoplasm	Detected and Quantified	7.60 (3.60-11.6) uM	Adult (>18 years old)	Both	Normal	15882454	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB04551

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022397

KNApSAcK ID

Not Available

Chemspider ID

9848

KEGG Compound ID

C05378

BioCyc ID

FRUCTOSE-16-DIPHOSPHATE

BiGG ID

Not Available

Wikipedia Link

Fructose 1,6-bisphosphate

METLIN ID

PubChem Compound

PDB ID

ChEBI ID

Food Biomarker Ontology

Not Available

VMH ID

FDP

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Yan, Weiqun. Method for producing fructose-1,6-diphosphate (FDP). Faming Zhuanli Shenqing Gongkai Shuomingshu (2005), 7 pp.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed:15882454 ]
Nakai A, Shigematsu Y, Liu YY, Kikawa Y, Sudo M: Urinary sugar phosphates and related organic acids in fructose-1,6-diphosphatase deficiency. J Inherit Metab Dis. 1993;16(2):408-14. [PubMed:8412001 ]
Riedel BJ, Gal J, Ellis G, Marangos PJ, Fox AW, Royston D: Myocardial protection using fructose-1,6-diphosphate during coronary artery bypass graft surgery: a randomized, placebo-controlled clinical trial. Anesth Analg. 2004 Jan;98(1):20-9, table of contents. [PubMed:14693576 ]
Acan NL, Ozer N: Modification of human erythrocyte pyruvate kinase by an active site-directed reagent: bromopyruvate. J Enzyme Inhib. 2001 Nov;16(5):457-64. [PubMed:11916152 ]
Ahn SM, Yoon HY, Lee BG, Park KC, Chung JH, Moon CH, Lee SH: Fructose-1,6-diphosphate attenuates prostaglandin E2 production and cyclo-oxygenase-2 expression in UVB-irradiated HaCaT keratinocytes. Br J Pharmacol. 2002 Oct;137(4):497-503. [PubMed:12359631 ]
Norne JE, Lilja H, Lindman B, Einarsson R, Zeppezauer M: Pt(CN)2-4 and Au(CN)-2: potential general probes for anion-binding sites of proteins. 35Cl and 81Br nuclear-magnetic-resonance studies. Eur J Biochem. 1975 Nov 15;59(2):463-73. [PubMed:1204623 ]
Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]
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 ]

Only showing the first 10 proteins. There are 14 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. 6-phosphofructokinase type C

General function:: Involved in 6-phosphofructokinase activity
Specific function:: Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:: PFKP
Uniprot ID:: Q01813
Molecular weight:: 85595.405

Reactions

Adenosine triphosphate + Fructose 6-phosphate → ADP + Fructose 1,6-bisphosphate	details
Adenosine triphosphate + Beta-D-Fructose 6-phosphate → ADP + Fructose 1,6-bisphosphate	details

Enzyme Details

2. 6-phosphofructokinase, liver type

General function:: Involved in 6-phosphofructokinase activity
Specific function:: Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:: PFKL
Uniprot ID:: P17858
Molecular weight:: 85017.825

Reactions

Adenosine triphosphate + Fructose 6-phosphate → ADP + Fructose 1,6-bisphosphate	details
Adenosine triphosphate + Beta-D-Fructose 6-phosphate → ADP + Fructose 1,6-bisphosphate	details

Enzyme Details

3. 6-phosphofructokinase, muscle type

General function:: Involved in 6-phosphofructokinase activity
Specific function:: Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:: PFKM
Uniprot ID:: P08237
Molecular weight:: 85181.925

Reactions

Adenosine triphosphate + Fructose 6-phosphate → ADP + Fructose 1,6-bisphosphate	details
Adenosine triphosphate + Beta-D-Fructose 6-phosphate → ADP + Fructose 1,6-bisphosphate	details

Enzyme Details

4. Fructose-1,6-bisphosphatase isozyme 2

General function:: Involved in phosphoric ester hydrolase activity
Specific function:: Not Available
Gene Name:: FBP2
Uniprot ID:: O00757
Molecular weight:: 36742.84

Reactions

Fructose 1,6-bisphosphate + Water → Fructose 6-phosphate + Phosphate	details
Fructose 1,6-bisphosphate + Water → Beta-D-Fructose 6-phosphate + Phosphate	details

Enzyme Details

5. Fructose-1,6-bisphosphatase 1

General function:: Involved in phosphoric ester hydrolase activity
Specific function:: Not Available
Gene Name:: FBP1
Uniprot ID:: P09467
Molecular weight:: 36842.145

Reactions

Fructose 1,6-bisphosphate + Water → Fructose 6-phosphate + Phosphate	details
Fructose 1,6-bisphosphate + Water → Beta-D-Fructose 6-phosphate + Phosphate	details

Enzyme Details

6. Fructose-bisphosphate aldolase A

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein (By similarity).
Gene Name:: ALDOA
Uniprot ID:: P04075
Molecular weight:: 39419.675

Reactions

Fructose 1,6-bisphosphate → Dihydroxyacetone phosphate + Glyceraldehyde 3-phosphate	details
Fructose 1,6-bisphosphate → Dihydroxyacetone phosphate + Glyceraldehyde 3-phosphate	details
Dihydroxyacetone phosphate + Glyceraldehyde 3-phosphate → Fructose 1,6-bisphosphate	details

Enzyme Details

7. Fructose-bisphosphate aldolase C

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: Not Available
Gene Name:: ALDOC
Uniprot ID:: P09972
Molecular weight:: 39455.505

Reactions

Fructose 1,6-bisphosphate → Dihydroxyacetone phosphate + Glyceraldehyde 3-phosphate	details
Fructose 1,6-bisphosphate → Dihydroxyacetone phosphate + Glyceraldehyde 3-phosphate	details

Enzyme Details

8. Fructose-bisphosphate aldolase B

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: Not Available
Gene Name:: ALDOB
Uniprot ID:: P05062
Molecular weight:: 39472.715

Reactions

Fructose 1,6-bisphosphate → Dihydroxyacetone phosphate + Glyceraldehyde 3-phosphate	details
Fructose 1,6-bisphosphate → Dihydroxyacetone phosphate + Glyceraldehyde 3-phosphate	details

Enzyme Details

9. Fructose-bisphosphate aldolase

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: D-fructose 1,6-bisphosphate = glycerone phosphate + D-glyceraldehyde 3-phosphate
Gene Name:: Not Available
Uniprot ID:: Q8NHT3
Molecular weight:: 34750.6

Enzyme Details

10. Fructose-bisphosphate aldolase

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: D-fructose 1,6-bisphosphate = glycerone phosphate + D-glyceraldehyde 3-phosphate
Gene Name:: ALDOC
Uniprot ID:: A8MVZ9
Molecular weight:: 36294.9

Only showing the first 10 proteins. There are 14 proteins in total.

Show all enzymes and transporters

Showing metabocard for Fructose 1,6-bisphosphate (HMDB0001058)

MOL for HMDB0001058 (Fructose 1,6-bisphosphate)

3D MOL for HMDB0001058 (Fructose 1,6-bisphosphate)

3D SDF for HMDB0001058 (Fructose 1,6-bisphosphate)

3D-SDF for HMDB0001058 (Fructose 1,6-bisphosphate)

PDB for HMDB0001058 (Fructose 1,6-bisphosphate)

3D PDB for HMDB0001058 (Fructose 1,6-bisphosphate)

SMILES for HMDB0001058 (Fructose 1,6-bisphosphate)

INCHI for HMDB0001058 (Fructose 1,6-bisphosphate)

Structure for HMDB0001058 (Fructose 1,6-bisphosphate)

3D Structure for HMDB0001058 (Fructose 1,6-bisphosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

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