MiMeDB: Showing metabocard for beta-D-Glucose 6-phosphate (MMDBc0029717)

Plant

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:38:48 UTC

Update Date

2022-08-31 17:13:23 UTC

Metabolite ID

MMDBc0029717

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 the glycolysis, gluconeogenesis, pentose phosphate, and glycogen and sucrose metabolic pathways [Kegg ID: C01172]. 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 to glycogen.

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>
MMDBc0029717

> <DATABASE_NAME>
MIME

> <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

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

Molecular Formula

C₆H₁₃O₉P

Average Mass

260.1358

Monoisotopic Mass

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

Not Available

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 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted 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

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191880	Glucokinase	Enzyme	P35557	Homo_sapiens
MMDBp0191882	Hexokinase-3	Enzyme	P52790	Homo_sapiens
MMDBp0191883	Hexokinase-2	Enzyme	P52789	Homo_sapiens
MMDBp0191885	Hexokinase-1	Enzyme	P19367	Homo_sapiens
MMDBp0191997	Glucose-6-phosphate 1-dehydrogenase	Enzyme	P11413	Homo_sapiens
MMDBp0191998	GDH/6PGL endoplasmic bifunctional protein	Unknown	O95479	Homo_sapiens
MMDBp0192036	ADP-dependent glucokinase	Unknown	Q9BRR6	Homo_sapiens
MMDBp0192426	Glucose-6-phosphate isomerase	Enzyme	P06744	Homo_sapiens
MMDBp0196842	Putative hexokinase HKDC1	Unknown	Q2TB90

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	175	Pig ; Human feces; Human ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human sputum; Human unknown	Unknown; Metabolic reconstruction
Bacteria	Actinobacteria	119	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human nasopharyngeal swab	Metabolic reconstruction
Bacteria	Firmicutes	357	Human feces; Human ; Pig ; Human pleural fluid plaque; Cattle	Metabolic reconstruction
Bacteria	Bacteroidetes	116	Human feces; Human ; Human appendix biopsy	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	19	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	2	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	2	Human feces	Unknown

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0003498

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

CMMC Knowledgebase

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for beta-D-Glucose 6-phosphate (MMDBc0029717)

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3D MOL for #<Metabolite:0x0000560be1fa3190>

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3D-SDF for #<Metabolite:0x0000560be1fa3190>

PDB for #<Metabolite:0x0000560be1fa3190>

3D PDB for #<Metabolite:0x0000560be1fa3190>

SMILES for #<Metabolite:0x0000560be1fa3190>

INCHI for #<Metabolite:0x0000560be1fa3190>

Structure for #<Metabolite:0x0000560be1fa3190>

3D Structure for #<Metabolite:0x0000560be1fa3190>