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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-05-09 21:14:51 UTC

Update Date

2022-03-07 03:17:42 UTC

HMDB ID

HMDB0060269

Secondary Accession Numbers

HMDB60269

Metabolite Identification

Common Name

D-Mannose 1,6-bisphosphate

Description

D-Mannose 1,6-bisphosphate 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. D-Mannose 1,6-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

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

HMDB0060269
     RDKit          3D
D-Mannose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    4.3331    1.7673    0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9197    1.1829   -0.9656 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8583    2.4048   -2.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    0.0334   -1.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    0.4085   -0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.7929    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.0669    0.2771 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3671    0.3769   -0.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801   -0.0497   -0.5400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6105    0.5107   -1.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6876    1.4326   -0.4710 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.7795    0.5944    0.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4021    2.6079   -1.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800    2.2141    0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -1.5629   -0.5876 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1875   -1.9496   -1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7821   -2.0439    0.5350 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7485   -3.4230    0.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976   -1.4293    0.3687 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3707   -1.6762    1.4924 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    3.1026   -1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9698   -0.8112   -0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    1.8853    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    0.5566    1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068    0.3614    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725    0.2438    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4619    3.4872   -1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    3.1617    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898   -1.9676   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035   -2.8673   -2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1923   -1.6088    1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -3.6739    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368   -1.8473   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -2.2811    1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  9 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
  9 26  1  1
 13 27  1  0
 14 28  1  0
 15 29  1  1
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END


  Mrv0541 05091314142D          

 20 20  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  1  0  0  0
  5  9  1  1  0  0  0
 16  1  1  0  0  0  0
 17  2  1  0  0  0  0
 17  6  1  0  0  0  0
  6 18  1  1  0  0  0
 19 10  1  0  0  0  0
 19 11  1  0  0  0  0
 19 12  2  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 20 14  1  0  0  0  0
 20 15  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0060269

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
RWHOZGRAXYWRNX-PQMKYFCFSA-N

> <FORMULA>
C6H14O12P2

> <MOLECULAR_WEIGHT>
340.1157

> <EXACT_MASS>
339.996048936

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
24.972591981133434

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.65

> <JCHEM_LOGP>
-3.1796712806666663

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.4915079093370291

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8867658416836726

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649397555635149

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999994

> <JCHEM_REFRACTIVITY>
57.6692

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-mannose 1,6-bisphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060269
     RDKit          3D
D-Mannose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    4.3331    1.7673    0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9197    1.1829   -0.9656 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8583    2.4048   -2.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    0.0334   -1.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    0.4085   -0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.7929    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.0669    0.2771 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3671    0.3769   -0.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801   -0.0497   -0.5400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6105    0.5107   -1.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6876    1.4326   -0.4710 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.7795    0.5944    0.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4021    2.6079   -1.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800    2.2141    0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -1.5629   -0.5876 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1875   -1.9496   -1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7821   -2.0439    0.5350 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7485   -3.4230    0.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976   -1.4293    0.3687 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3707   -1.6762    1.4924 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    3.1026   -1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9698   -0.8112   -0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    1.8853    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    0.5566    1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068    0.3614    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725    0.2438    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4619    3.4872   -1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    3.1617    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898   -1.9676   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035   -2.8673   -2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1923   -1.6088    1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -3.6739    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368   -1.8473   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -2.2811    1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  9 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
  9 26  1  1
 13 27  1  0
 14 28  1  0
 15 29  1  1
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END

HEADER    PROTEIN                                 09-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-MAY-13         0                                  
HETATM    1  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.668   5.390   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       4.565   5.954   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       6.105   3.286   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       1.897  -4.414   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       3.437  -1.746   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   19  P   UNK     0       5.335   4.620   0.000  0.00  0.00           P+0
HETATM   20  P   UNK     0       2.667  -3.080   0.000  0.00  0.00           P+0
CONECT    1    2   16                                                       
CONECT    2    1    3   17                                                  
CONECT    3    2    4    7                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5   17   18                                                  
CONECT    7    3                                                            
CONECT    8    4                                                            
CONECT    9    5                                                            
CONECT   10   19                                                            
CONECT   11   19                                                            
CONECT   12   19                                                            
CONECT   13   20                                                            
CONECT   14   20                                                            
CONECT   15   20                                                            
CONECT   16    1   19                                                       
CONECT   17    2    6                                                       
CONECT   18    6   20                                                       
CONECT   19   10   11   12   16                                             
CONECT   20   13   14   15   18                                             
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0060269
HETATM    1  O1  UNL     1       4.333   1.767   0.365  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.920   1.183  -0.966  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.858   2.405  -2.132  1.00  0.00           O  
HETATM    4  O3  UNL     1       5.079   0.033  -1.431  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.421   0.408  -0.884  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.726   0.793   0.266  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.400   0.067   0.277  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.367   0.377  -0.844  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.680  -0.050  -0.540  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.610   0.511  -1.373  1.00  0.00           O  
HETATM   11  P2  UNL     1      -3.688   1.433  -0.471  1.00  0.00           P  
HETATM   12  O7  UNL     1      -4.779   0.594   0.158  1.00  0.00           O  
HETATM   13  O8  UNL     1      -4.402   2.608  -1.474  1.00  0.00           O  
HETATM   14  O9  UNL     1      -2.880   2.214   0.814  1.00  0.00           O  
HETATM   15  C4  UNL     1      -1.678  -1.563  -0.588  1.00  0.00           C  
HETATM   16  O10 UNL     1      -1.187  -1.950  -1.828  1.00  0.00           O  
HETATM   17  C5  UNL     1      -0.782  -2.044   0.535  1.00  0.00           C  
HETATM   18  O11 UNL     1      -0.748  -3.423   0.588  1.00  0.00           O  
HETATM   19  C6  UNL     1       0.598  -1.429   0.369  1.00  0.00           C  
HETATM   20  O12 UNL     1       1.371  -1.676   1.492  1.00  0.00           O  
HETATM   21  H1  UNL     1       4.546   3.103  -1.973  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.970  -0.811  -0.932  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.560   1.885   0.191  1.00  0.00           H  
HETATM   24  H4  UNL     1       2.289   0.557   1.173  1.00  0.00           H  
HETATM   25  H5  UNL     1      -0.207   0.361   1.160  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.872   0.244   0.504  1.00  0.00           H  
HETATM   27  H7  UNL     1      -4.462   3.487  -1.023  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.786   3.162   0.583  1.00  0.00           H  
HETATM   29  H9  UNL     1      -2.690  -1.968  -0.444  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.503  -2.867  -2.087  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.192  -1.609   1.482  1.00  0.00           H  
HETATM   32  H12 UNL     1      -0.832  -3.674   1.561  1.00  0.00           H  
HETATM   33  H13 UNL     1       1.137  -1.847  -0.504  1.00  0.00           H  
HETATM   34  H14 UNL     1       2.140  -2.281   1.316  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   21
CONECT    4   22
CONECT    5    6
CONECT    6    7   23   24
CONECT    7    8   19   25
CONECT    8    9
CONECT    9   10   15   26
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   27
CONECT   14   28
CONECT   15   16   17   29
CONECT   16   30
CONECT   17   18   19   31
CONECT   18   32
CONECT   19   20   33
CONECT   20   34
END

HMDB0060269
     RDKit          3D
D-Mannose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    4.3331    1.7673    0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9197    1.1829   -0.9656 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.8583    2.4048   -2.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    0.0334   -1.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    0.4085   -0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.7929    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.0669    0.2771 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3671    0.3769   -0.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801   -0.0497   -0.5400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6105    0.5107   -1.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6876    1.4326   -0.4710 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.7795    0.5944    0.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4021    2.6079   -1.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800    2.2141    0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -1.5629   -0.5876 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1875   -1.9496   -1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7821   -2.0439    0.5350 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7485   -3.4230    0.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976   -1.4293    0.3687 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3707   -1.6762    1.4924 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    3.1026   -1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9698   -0.8112   -0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    1.8853    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    0.5566    1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068    0.3614    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725    0.2438    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4619    3.4872   -1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    3.1617    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898   -1.9676   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035   -2.8673   -2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1923   -1.6088    1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -3.6739    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368   -1.8473   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -2.2811    1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  9 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
  9 26  1  1
 13 27  1  0
 14 28  1  0
 15 29  1  1
 16 30  1  0
 17 31  1  1
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
D-Mannose 1,6-bisphosphoric acid	Generator

Chemical Formula

C₆H₁₄O₁₂P₂

Average Molecular Weight

340.1157

Monoisotopic Molecular Weight

339.996048936

IUPAC Name

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

Traditional Name

D-mannose 1,6-bisphosphate

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

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

InChI Key

RWHOZGRAXYWRNX-PQMKYFCFSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexose phosphates

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	16 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-3.2	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	57.67 m³·mol⁻¹	ChemAxon
Polarizability	24.97 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]+	172.459	31661259
DarkChem	[M-H]-	164.25	31661259
DeepCCS	[M+H]+	153.467	30932474
DeepCCS	[M-H]-	151.072	30932474
DeepCCS	[M-2H]-	185.698	30932474
DeepCCS	[M+Na]+	160.26	30932474
AllCCS	[M+H]+	171.1	32859911
AllCCS	[M+H-H2O]+	168.0	32859911
AllCCS	[M+NH4]+	173.9	32859911
AllCCS	[M+Na]+	174.7	32859911
AllCCS	[M-H]-	159.5	32859911
AllCCS	[M+Na-2H]-	159.6	32859911
AllCCS	[M+HCOO]-	159.8	32859911

Predicted Kovats Retention Indices

Underivatized

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

Derivatized

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

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-Mannose 1,6-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9232000000-2f9af1e0bad8ad61ebec	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Mannose 1,6-bisphosphate GC-MS (3 TMS) - 70eV, Positive	splash10-0005-9112350000-ba2b8b387ea707d93b91	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Mannose 1,6-bisphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Mannose 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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1,6-bisphosphate 10V, Positive-QTOF	splash10-0006-3069000000-e9b0aea4f8af6f1658de	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1,6-bisphosphate 20V, Positive-QTOF	splash10-0005-9073000000-4589786bd586b330d77e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1,6-bisphosphate 40V, Positive-QTOF	splash10-0002-9510000000-0f367423eab9d67ef042	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1,6-bisphosphate 10V, Negative-QTOF	splash10-002r-7119000000-83a9ff3acd66a32a5253	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1,6-bisphosphate 20V, Negative-QTOF	splash10-004i-9000000000-b0dd17f866fd6451adfe	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Mannose 1,6-bisphosphate 40V, Negative-QTOF	splash10-004i-9000000000-0ba527e8a46d0e6082b0	2017-10-06	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440090

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Showing metabocard for D-Mannose 1,6-bisphosphate (HMDB0060269)

MOL for HMDB0060269 (D-Mannose 1,6-bisphosphate)

3D MOL for HMDB0060269 (D-Mannose 1,6-bisphosphate)

3D SDF for HMDB0060269 (D-Mannose 1,6-bisphosphate)

3D-SDF for HMDB0060269 (D-Mannose 1,6-bisphosphate)

PDB for HMDB0060269 (D-Mannose 1,6-bisphosphate)

3D PDB for HMDB0060269 (D-Mannose 1,6-bisphosphate)

SMILES for HMDB0060269 (D-Mannose 1,6-bisphosphate)

INCHI for HMDB0060269 (D-Mannose 1,6-bisphosphate)

Structure for HMDB0060269 (D-Mannose 1,6-bisphosphate)

3D Structure for HMDB0060269 (D-Mannose 1,6-bisphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra