Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (9) Show 9 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-12 22:03:45 UTC

Update Date

2021-09-14 15:18:55 UTC

HMDB ID

HMDB0003498

Secondary Accession Numbers

HMDB03498

Metabolite Identification

Common Name

beta-D-Glucose 6-phosphate

Description

beta-D-Glucose 6 phosphate (b-G6P) is the beta-anomer of glucose-6-phosphate. There are two anomers of glucose 6 phosphate: the alpha anomer and the beta anomer. Specifically, beta-D-Glucose 6-phosphate is glucose sugar phosphorylated on carbon 6. It is a very common metabolite in cells as the vast majority of glucose entering a cell will become phosphorylated in this way. The primary reason for the immediate phosphorylation of glucose is to prevent diffusion out of the cell. The phosphorylation adds a charged phosphate group so the glucose 6-phosphate cannot easily cross the cell membrane. b-G6P is involved in glycolysis, gluconeogenesis, pentose phosphate, and glycogen and sucrose metabolic pathways. beta-D-Glucose 6 phosphate can be generated through beta-D-fructose phosphate or alpha-D-glucose 6 phosphate (via glucose-6-phosphate isomerase) or beta-D glucose (via hexokinase). It can then be sent off to the pentose phosphate pathway which generates the useful cofactor NADPH as well as ribulose 5-phosphate, a carbon source for the synthesis of other molecules. Alternately, if the cell needs energy or carbon skeletons for synthesis then glucose 6-phosphate is targeted for glycolysis. A third route is to have glucose 6 phosphate stored or converted into glycogen, especially if blood glucose levels are high.

Structure

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

HMDB0003498
     RDKit          3D
beta-D-Glucose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.7688    0.4982   -1.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7395    0.3690   -0.4761 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1939   -0.9349    0.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    1.7969    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    0.1858   -1.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    0.0496   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215   -0.1204   -0.8824 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5400   -1.3952   -0.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3677   -1.6242    0.4009 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7269   -1.7360    1.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392   -0.6803    0.4290 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1624   -0.7784   -0.8241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.7228    0.5528 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5206    1.0280    1.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0747    0.9773   -0.5686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8561    1.2742   -1.6992 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717   -1.5091    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    1.6152    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354   -0.8688    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559    0.9244    0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -0.0561   -1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190   -2.6380    0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -0.9245    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194   -0.9046    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882   -0.2173   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    1.3995    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    0.7263    2.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766    1.9066   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4213    0.9139   -2.5179 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
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END


  Mrv1652309042000292D          

 16 16  0  0  1  0            999 V2000
    0.7145   -0.4125    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
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  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   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  6  0  0  0
  2  1  1  0  0  0  0
  2  7  1  1  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  9  1  1  0  0  0
  5  3  1  0  0  0  0
  5 11  1  1  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  6 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003498

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

> <INCHI_KEY>
NBSCHQHZLSJFNQ-VFUOTHLCSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.960874743972497

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.06

> <JCHEM_LOGP>
-3.056105249333333

> <ALOGPS_LOGS>
-0.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.248752256962443

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.222936327751123

> <JCHEM_PKA_STRONGEST_BASIC>
-3.64935696086094

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
46.796299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-D-glucose 6-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003498
     RDKit          3D
beta-D-Glucose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.7688    0.4982   -1.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7395    0.3690   -0.4761 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1939   -0.9349    0.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    1.7969    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    0.1858   -1.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    0.0496   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215   -0.1204   -0.8824 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5400   -1.3952   -0.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3677   -1.6242    0.4009 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7269   -1.7360    1.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392   -0.6803    0.4290 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1624   -0.7784   -0.8241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.7228    0.5528 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5206    1.0280    1.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0747    0.9773   -0.5686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8561    1.2742   -1.6992 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717   -1.5091    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    1.6152    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354   -0.8688    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559    0.9244    0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -0.0561   -1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190   -2.6380    0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -0.9245    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194   -0.9046    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882   -0.2173   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    1.3995    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    0.7263    2.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766    1.9066   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4213    0.9139   -2.5179 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
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   0.770   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       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       2.667  -1.540   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -2.667  -1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.001   0.770   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -5.335   3.080   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -6.668   0.770   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0      -5.335   1.540   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
CONECT    1    8    2    4                                                  
CONECT    2    1    7    3                                                  
CONECT    3    2    5                                                       
CONECT    4    1    9    6                                                  
CONECT    5    3   11    6                                                  
CONECT    6    4    5   10                                                  
CONECT    7    2                                                            
CONECT    8    1                                                            
CONECT    9    4                                                            
CONECT   10    6                                                            
CONECT   11    5   12                                                       
CONECT   12   11   15                                                       
CONECT   13   15                                                            
CONECT   14   15                                                            
CONECT   15   12   13   14   16                                             
CONECT   16   15                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0003498
HETATM    1  O1  UNL     1       4.769   0.498  -1.589  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.740   0.369  -0.476  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.194  -0.935   0.480  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.770   1.797   0.408  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.246   0.186  -1.196  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.241   0.050  -0.223  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.121  -0.120  -0.882  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.540  -1.395  -0.660  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.368  -1.624   0.401  1.00  0.00           C  
HETATM   10  O6  UNL     1      -0.727  -1.736   1.625  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.539  -0.680   0.429  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.162  -0.778  -0.824  1.00  0.00           O  
HETATM   13  C5  UNL     1      -2.021   0.723   0.553  1.00  0.00           C  
HETATM   14  O8  UNL     1      -1.521   1.028   1.807  1.00  0.00           O  
HETATM   15  C6  UNL     1      -1.075   0.977  -0.569  1.00  0.00           C  
HETATM   16  O9  UNL     1      -1.856   1.274  -1.699  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.872  -1.509   0.042  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.538   1.615   1.344  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.535  -0.869   0.347  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.256   0.924   0.471  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.062  -0.056  -1.988  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.819  -2.638   0.230  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.263  -0.925   1.916  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.219  -0.905   1.259  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.988  -0.217  -0.806  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.902   1.399   0.410  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.203   0.726   2.465  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.477   1.907  -0.388  1.00  0.00           H  
HETATM   29  H13 UNL     1      -1.421   0.914  -2.518  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   17
CONECT    4   18
CONECT    5    6
CONECT    6    7   19   20
CONECT    7    8   15   21
CONECT    8    9
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   13   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END

HMDB0003498
     RDKit          3D
beta-D-Glucose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.7688    0.4982   -1.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7395    0.3690   -0.4761 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1939   -0.9349    0.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    1.7969    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    0.1858   -1.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    0.0496   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215   -0.1204   -0.8824 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5400   -1.3952   -0.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3677   -1.6242    0.4009 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7269   -1.7360    1.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392   -0.6803    0.4290 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1624   -0.7784   -0.8241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.7228    0.5528 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5206    1.0280    1.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0747    0.9773   -0.5686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8561    1.2742   -1.6992 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717   -1.5091    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    1.6152    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354   -0.8688    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559    0.9244    0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -0.0561   -1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190   -2.6380    0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -0.9245    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194   -0.9046    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882   -0.2173   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    1.3995    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    0.7263    2.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766    1.9066   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4213    0.9139   -2.5179 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
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
  9 22  1  6
 10 23  1  0
 11 24  1  1
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6-H2PO3glcbeta	ChEBI
6-O-Phosphono-beta-D-glucopyranose	ChEBI
beta-D-Glucose 6-(dihydrogen phosphate)	ChEBI
beta-D-Glucose 6-phosphic acid	ChEBI
BETA-D-GLUCOSE-6-phosphATE	ChEBI
6-O-Phosphono-b-D-glucopyranose	Generator
6-O-Phosphono-β-D-glucopyranose	Generator
b-D-Glucose 6-(dihydrogen phosphate)	Generator
b-D-Glucose 6-(dihydrogen phosphoric acid)	Generator
beta-D-Glucose 6-(dihydrogen phosphoric acid)	Generator
Β-D-glucose 6-(dihydrogen phosphate)	Generator
Β-D-glucose 6-(dihydrogen phosphoric acid)	Generator
b-D-Glucose 6-phosphate	Generator
b-D-Glucose 6-phosphoric acid	Generator
beta-D-Glucose 6-phosphoric acid	Generator
Β-D-glucose 6-phosphate	Generator
Β-D-glucose 6-phosphoric acid	Generator
b-D-GLUCOSE-6-phosphate	Generator
b-D-GLUCOSE-6-phosphoric acid	Generator
beta-D-GLUCOSE-6-phosphoric acid	Generator
Β-D-glucose-6-phosphate	Generator
Β-D-glucose-6-phosphoric acid	Generator

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

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

Traditional Name

β-D-glucose 6-phosphate

CAS Registry Number

15209-12-8

SMILES

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

InChI Identifier

InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

InChI Key

NBSCHQHZLSJFNQ-VFUOTHLCSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexose phosphates

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-glucopyranose 6-phosphate (CHEBI:17719 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-3.643	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	31.4 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-3.1	ChemAxon
logS	-0.92	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	46.8 m³·mol⁻¹	ChemAxon
Polarizability	20.96 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	154.671	31661259
DarkChem	[M-H]-	148.848	31661259
DeepCCS	[M+H]+	143.259	30932474
DeepCCS	[M-H]-	140.863	30932474
DeepCCS	[M-2H]-	175.44	30932474
DeepCCS	[M+Na]+	149.898	30932474
AllCCS	[M+H]+	156.8	32859911
AllCCS	[M+H-H2O]+	153.2	32859911
AllCCS	[M+NH4]+	160.2	32859911
AllCCS	[M+Na]+	161.1	32859911
AllCCS	[M-H]-	147.2	32859911
AllCCS	[M+Na-2H]-	147.5	32859911
AllCCS	[M+HCOO]-	147.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
beta-D-Glucose 6-phosphate	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O	3490.8	Standard polar	33892256
beta-D-Glucose 6-phosphate	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O	2068.8	Standard non polar	33892256
beta-D-Glucose 6-phosphate	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O	2270.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
beta-D-Glucose 6-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O	2119.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](O)[C@H](O)[C@H]1O	2099.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](COP(=O)(O)O)[C@H]1O	2103.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1O	2111.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	2258.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2073.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1O	2221.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	2262.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2088.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2065.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	2208.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]1COP(=O)(O)O	2082.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2066.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]1O	2194.6	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H](O)[C@@H]1O[Si](C)(C)C	2080.6	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2207.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2106.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2140.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,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](O)[C@H](O)[C@H]1O	2175.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,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@@H](O)[C@@H]1O[Si](C)(C)C	2178.2	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	2169.0	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1O	2199.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2104.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2139.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2110.2	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2165.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2128.6	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #7	C[Si](C)(C)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	2161.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	2125.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2193.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2129.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #10	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](O)[C@H](O)[C@H]1O[Si](C)(C)C	2199.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,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@@H](O)[C@@H]1O[Si](C)(C)C	2243.0	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #2	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2204.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2201.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2193.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2205.6	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #6	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2223.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #7	C[Si](C)(C)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[Si](C)(C)C	2182.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2217.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2260.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2216.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2232.2	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2598.4	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2241.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2261.9	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2478.6	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2236.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2263.5	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2465.6	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2240.2	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2262.3	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2508.1	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2255.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2252.6	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2475.9	Standard polar	33892256
beta-D-Glucose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2260.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2286.5	Standard non polar	33892256
beta-D-Glucose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2423.5	Standard polar	33892256
beta-D-Glucose 6-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O	2369.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](O)[C@H](O)[C@H]1O	2381.0	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](COP(=O)(O)O)[C@H]1O	2384.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1O	2398.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	2514.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2510.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1O	2688.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	2744.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2514.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2508.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	2637.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]1COP(=O)(O)O	2545.2	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2523.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #7	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](O)[C@H](O)[C@H]1O	2666.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2531.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	2662.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2738.2	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #10	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](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2809.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,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](O)[C@H](O)[C@H]1O	2857.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,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@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2821.0	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](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	2844.6	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1O	2872.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	2734.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1O[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](O)[C@H]1O	2788.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2749.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2784.5	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2782.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)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	2827.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	2773.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	2835.6	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](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	2982.8	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #10	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](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3022.7	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,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@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3041.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1O[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](O[Si](C)(C)C(C)(C)C)[C@H]1O	2994.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3001.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3006.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3003.0	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H]1O	3012.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C	3000.1	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](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	3039.4	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3064.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[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](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3237.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[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](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3130.3	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1O[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](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3025.3	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3222.9	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3123.2	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2948.2	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](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	3231.3	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](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	3134.3	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](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	2933.8	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3229.6	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3116.4	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)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[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2968.2	Standard polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](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	3259.2	Semi standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](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	3134.6	Standard non polar	33892256
beta-D-Glucose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](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	2945.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9740000000-a6e81224fb97751dc2e6	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucose 6-phosphate GC-MS (4 TMS) - 70eV, Positive	splash10-001i-5572890000-1bd34b89c6cb6aadc13c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-Glucose 6-phosphate 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 - beta-D-Glucose 6-phosphate 10V, Positive-QTOF	splash10-03di-0490000000-1a5b3049c27a2a9b8996	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 20V, Positive-QTOF	splash10-03dm-4940000000-cbc695bef22278b36879	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 40V, Positive-QTOF	splash10-0uka-8900000000-320e52be29673422365e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 10V, Negative-QTOF	splash10-0a6r-6290000000-e76ad7d6142e19f5a9c2	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-e27be76de6d71ada7083	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-9540d84c7e74555e7a01	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 10V, Negative-QTOF	splash10-0a6s-9060000000-b446300429049a22bea4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-d5aaca13a836cb9f1725	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 10V, Positive-QTOF	splash10-03dm-0970000000-40dbaf3d3c72cf65bf47	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 20V, Positive-QTOF	splash10-01ot-7900000000-00bc03290b6c0bfb7f84	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Glucose 6-phosphate 40V, Positive-QTOF	splash10-000t-9000000000-7a6ff6606f1dbc2f0ae4	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Glycolysis
Gluconeogenesis
pentose phosphate pathway	Not Available	Not Available
Trehalose Degradation		Not Available
Glucose-6-phosphate dehydrogenase deficiency		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB04122

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB031291

KNApSAcK ID

Not Available

Chemspider ID

388538

KEGG Compound ID

C01172

BioCyc ID

GLC-6-P

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439427

PDB ID

Not Available

ChEBI ID

17719

Food Biomarker Ontology

Not Available

VMH ID

G6P_B

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Glucokinase

General function:: Involved in ATP binding
Specific function:: Catalyzes the initial step in utilization of glucose by the beta-cell and liver at physiological glucose concentration. Glucokinase has a high Km for glucose, and so it is effective only when glucose is abundant. The role of GCK is to provide G6P for the synthesis of glycogen. Pancreatic glucokinase plays an important role in modulating insulin secretion. Hepatic glucokinase helps to facilitate the uptake and conversion of glucose by acting as an insulin-sensitive determinant of hepatic glucose usage.
Gene Name:: GCK
Uniprot ID:: P35557
Molecular weight:: 52191.07

Reactions

Adenosine triphosphate + D-Glucose → ADP + beta-D-Glucose 6-phosphate	details

Enzyme Details

2. Hexokinase-3

General function:: Involved in ATP binding
Specific function:: Not Available
Gene Name:: HK3
Uniprot ID:: P52790
Molecular weight:: 99024.56

Reactions

Adenosine triphosphate + D-Glucose → ADP + beta-D-Glucose 6-phosphate	details

Enzyme Details

3. Hexokinase-2

General function:: Involved in ATP binding
Specific function:: Not Available
Gene Name:: HK2
Uniprot ID:: P52789
Molecular weight:: 102379.06

Reactions

Adenosine triphosphate + D-Glucose → ADP + beta-D-Glucose 6-phosphate	details

Enzyme Details

4. Hexokinase-1

General function:: Involved in ATP binding
Specific function:: Not Available
Gene Name:: HK1
Uniprot ID:: P19367
Molecular weight:: 102485.1

Reactions

Adenosine triphosphate + D-Glucose → ADP + beta-D-Glucose 6-phosphate	details

Enzyme Details

5. Glucose-6-phosphate 1-dehydrogenase

General function:: Involved in glucose-6-phosphate dehydrogenase activity
Specific function:: Produces pentose sugars for nucleic acid synthesis and main producer of NADPH reducing power.
Gene Name:: G6PD
Uniprot ID:: P11413
Molecular weight:: 62467.88

Reactions

beta-D-Glucose 6-phosphate + NADP → 6-Phosphonoglucono-D-lactone + NADPH + Hydrogen Ion	details

Enzyme Details

6. GDH/6PGL endoplasmic bifunctional protein

General function:: Involved in 6-phosphogluconolactonase activity
Specific function:: Oxidizes glucose-6-phosphate and glucose, as well as other hexose-6-phosphates.
Gene Name:: H6PD
Uniprot ID:: O95479
Molecular weight:: 88891.99

Reactions

beta-D-Glucose 6-phosphate + NADP → 6-Phosphonoglucono-D-lactone + NADPH + Hydrogen Ion	details

Enzyme Details

7. ADP-dependent glucokinase

General function:: Involved in phosphotransferase activity, alcohol group as acceptor
Specific function:: Catalyzes the phosphorylation of D-glucose to D-glucose 6-phosphate using ADP as the phosphate donor. GDP and CDP can replace ADP, but with reduced efficiency (By similarity).
Gene Name:: ADPGK
Uniprot ID:: Q9BRR6
Molecular weight:: 53960.185

Reactions

D-Glucose + ADP → beta-D-Glucose 6-phosphate + Adenosine monophosphate	details

Enzyme Details

8. Glucose-6-phosphate isomerase

General function:: Involved in glucose-6-phosphate isomerase activity
Specific function:: Besides it's role as a glycolytic enzyme, mammalian GPI can function as a tumor-secreted cytokine and an angiogenic factor (AMF) that stimulates endothelial cell motility. GPI is also a neurotrophic factor (Neuroleukin) for spinal and sensory neurons.
Gene Name:: GPI
Uniprot ID:: P06744
Molecular weight:: 63146.745

Reactions

Glucose 6-phosphate → beta-D-Glucose 6-phosphate	details
beta-D-Glucose 6-phosphate → Beta-D-Fructose 6-phosphate	details

Enzyme Details

9. Putative hexokinase HKDC1

General function:: Not Available
Specific function:: Not Available
Gene Name:: HKDC1
Uniprot ID:: Q2TB90
Molecular weight:: 102513.88

Reactions

Adenosine triphosphate + D-Glucose → ADP + beta-D-Glucose 6-phosphate	details

Showing metabocard for beta-D-Glucose 6-phosphate (HMDB0003498)

MOL for HMDB0003498 (beta-D-Glucose 6-phosphate)

3D MOL for HMDB0003498 (beta-D-Glucose 6-phosphate)

3D SDF for HMDB0003498 (beta-D-Glucose 6-phosphate)

3D-SDF for HMDB0003498 (beta-D-Glucose 6-phosphate)

PDB for HMDB0003498 (beta-D-Glucose 6-phosphate)

3D PDB for HMDB0003498 (beta-D-Glucose 6-phosphate)

SMILES for HMDB0003498 (beta-D-Glucose 6-phosphate)

INCHI for HMDB0003498 (beta-D-Glucose 6-phosphate)

Structure for HMDB0003498 (beta-D-Glucose 6-phosphate)

3D Structure for HMDB0003498 (beta-D-Glucose 6-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions

Reactions

Reactions

Reactions

Reactions

Reactions