MiMeDB: Showing metabocard for Fructose 6-phosphate (MMDBc0029473)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:23:42 UTC

Update Date

2022-08-31 10:30:58 UTC

Metabolite ID

MMDBc0029473

Metabolite Identification

Common Name

Fructose 6-phosphate

Description

Fructose-6-phosphate is an important intermediate in glycolysis and gluconeogenesis. The interconversion of glucose-6-phosphate and fructose-6-phosphate, the second step of the Embden-Meyerhof glycolytic pathway, is catalyzed by the enzyme phosphoglucose isomerase (PGI). In gluconeogenesis, fructose-6-phosphate is the immediate precursor of glucose-6-phosphate (wikipedia)

Structure

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

HMDB0000124
     RDKit          3D
Fructose 6-phosphate
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.7915    0.6990    0.8065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5557    0.6772    0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189    1.8751   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286    2.8508   -0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427   -0.5073    1.0809 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7956   -1.3099    1.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607   -1.4248    0.0759 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7021   -2.4988    0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1148   -0.9279   -0.7369 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4019   -1.9906   -1.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230   -0.3617    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    0.1001   -0.8869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.7690   -0.1559 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1450    0.9947    1.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.2675   -0.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6291   -0.2736   -0.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    2.3484    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590    1.7497   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8195    3.4385   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.2109    1.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445   -2.2170    1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0147   -1.8826   -0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941   -3.2888    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -0.1865   -1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314   -2.6492   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220   -1.2188    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.3834    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    2.9369   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2973   -0.1420    0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  1
  6 21  1  0
  7 22  1  6
  8 23  1  0
  9 24  1  6
 10 25  1  0
 11 26  1  0
 11 27  1  0
 15 28  1  0
 16 29  1  0
M  END

Fructose-6-phosphate.mol
  Mrv1652309032023532D          

 16 15  0  0  0  0            999 V2000
   -2.8322   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7697   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8803   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5947    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1178    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7053    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
  2 10  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029473

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1

> <INCHI_KEY>
GSXOAOHZAIYLCY-HSUXUTPPSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.778740900510897

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.86

> <JCHEM_LOGP>
-3.3905979233333325

> <ALOGPS_LOGS>
-1.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.5166974376372915

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4909754207196326

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3276329057572926

> <JCHEM_POLAR_SURFACE_AREA>
164.75

> <JCHEM_REFRACTIVITY>
48.4347

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.32e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-fructose 6-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000124
     RDKit          3D
Fructose 6-phosphate
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.7915    0.6990    0.8065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5557    0.6772    0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189    1.8751   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286    2.8508   -0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427   -0.5073    1.0809 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7956   -1.3099    1.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607   -1.4248    0.0759 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7021   -2.4988    0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1148   -0.9279   -0.7369 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4019   -1.9906   -1.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230   -0.3617    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    0.1001   -0.8869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.7690   -0.1559 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1450    0.9947    1.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.2675   -0.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6291   -0.2736   -0.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    2.3484    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590    1.7497   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8195    3.4385   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.2109    1.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445   -2.2170    1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0147   -1.8826   -0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941   -3.2888    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -0.1865   -1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314   -2.6492   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220   -1.2188    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.3834    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    2.9369   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2973   -0.1420    0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  1
  6 21  1  0
  7 22  1  6
  8 23  1  0
  9 24  1  6
 10 25  1  0
 11 26  1  0
 11 27  1  0
 15 28  1  0
 16 29  1  0
M  END

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Fructose-6-phosphate.mol                          
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  O   UNK     0      -5.287  -1.334   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.747  -1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.437   0.000   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.667   1.334   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.667  -1.334   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.437  -2.667   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.873  -1.334   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.643  -2.667   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.643   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.977   0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -3.747   1.334   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0       3.953   1.334   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0       2.619   2.104   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       3.183   0.000   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       4.723   2.667   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.287   0.564   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1   10                                                       
CONECT    3    4    5   10                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   14                                                       
CONECT   10   11    3    2                                                  
CONECT   11   10                                                            
CONECT   12   13   14   15   16                                             
CONECT   13   12                                                            
CONECT   14   12    9                                                       
CONECT   15   12                                                            
CONECT   16   12                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

COMPND    HMDB0000124
HETATM    1  O1  UNL     1      -3.791   0.699   0.807  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.556   0.677   0.623  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.019   1.875  -0.033  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.029   2.851  -0.242  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.843  -0.507   1.081  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.796  -1.310   1.789  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.261  -1.425   0.076  1.00  0.00           C  
HETATM    8  O4  UNL     1      -0.702  -2.499   0.851  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.115  -0.928  -0.737  1.00  0.00           C  
HETATM   10  O5  UNL     1       0.402  -1.991  -1.531  1.00  0.00           O  
HETATM   11  C6  UNL     1       1.023  -0.362   0.036  1.00  0.00           C  
HETATM   12  O6  UNL     1       1.969   0.100  -0.887  1.00  0.00           O  
HETATM   13  P1  UNL     1       3.315   0.769  -0.156  1.00  0.00           P  
HETATM   14  O7  UNL     1       3.145   0.995   1.321  1.00  0.00           O  
HETATM   15  O8  UNL     1       3.630   2.268  -0.909  1.00  0.00           O  
HETATM   16  O9  UNL     1       4.629  -0.274  -0.411  1.00  0.00           O  
HETATM   17  H1  UNL     1      -1.283   2.348   0.681  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.559   1.750  -1.005  1.00  0.00           H  
HETATM   19  H3  UNL     1      -2.820   3.438  -0.987  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.118  -0.211   1.873  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.445  -2.217   1.888  1.00  0.00           H  
HETATM   22  H6  UNL     1      -2.015  -1.883  -0.554  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.694  -3.289   0.278  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.434  -0.187  -1.494  1.00  0.00           H  
HETATM   25  H9  UNL     1       0.831  -2.649  -0.922  1.00  0.00           H  
HETATM   26  H10 UNL     1       1.522  -1.219   0.575  1.00  0.00           H  
HETATM   27  H11 UNL     1       0.750   0.383   0.780  1.00  0.00           H  
HETATM   28  H12 UNL     1       3.963   2.937  -0.271  1.00  0.00           H  
HETATM   29  H13 UNL     1       5.297  -0.142   0.318  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    5
CONECT    3    4   17   18
CONECT    4   19
CONECT    5    6    7   20
CONECT    6   21
CONECT    7    8    9   22
CONECT    8   23
CONECT    9   10   11   24
CONECT   10   25
CONECT   11   12   26   27
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   28
CONECT   16   29
END

HMDB0000124
     RDKit          3D
Fructose 6-phosphate
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.7915    0.6990    0.8065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5557    0.6772    0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189    1.8751   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286    2.8508   -0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427   -0.5073    1.0809 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7956   -1.3099    1.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607   -1.4248    0.0759 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7021   -2.4988    0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1148   -0.9279   -0.7369 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4019   -1.9906   -1.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230   -0.3617    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    0.1001   -0.8869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.7690   -0.1559 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1450    0.9947    1.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.2675   -0.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6291   -0.2736   -0.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    2.3484    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590    1.7497   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8195    3.4385   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.2109    1.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445   -2.2170    1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0147   -1.8826   -0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941   -3.2888    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -0.1865   -1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314   -2.6492   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220   -1.2188    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.3834    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    2.9369   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2973   -0.1420    0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  1
  6 21  1  0
  7 22  1  6
  8 23  1  0
  9 24  1  6
 10 25  1  0
 11 26  1  0
 11 27  1  0
 15 28  1  0
 16 29  1  0
M  END

Synonyms

Value	Source
D-Fructose 6-phosphate	ChEBI
D-Fructose 6-phosphoric acid	ChEBI
Fructose-6-phosphate	ChEBI
Neuberg ester	ChEBI
Fructose-6-phosphoric acid	Generator
Fructose 6-phosphoric acid	Generator
D-Fructose 6-phosphorate	HMDB
D-Fructose-6-p	HMDB
D-Fructose-6-phosphate	HMDB
FPC	HMDB
Fru-6-p	HMDB
Fructose-6-p	HMDB
Fructose-6P	HMDB
Fructose-6-phosphate, (alpha-D)-isomer	HMDB
Fructose-6-phosphate, (beta-D)-isomer	HMDB
Fructose-6-phosphate, disodium salt, (D)-isomer	HMDB
Fructose-6-phosphate, (D)-isomer	HMDB
Fructose-6-phosphate, 1-(14)C-labeled, (D)-isomer	HMDB
Fructose-6-phosphate, 2-(14)C-labeled, (D)-isomer	HMDB
Fructose-6-phosphate, barium (1:1) salt, (D)-isomer	HMDB
Fructose-6-phosphate, barium salt, (D)-isomer	HMDB
Fructose-6-phosphate, sodium salt, (D)-isomer	HMDB
Fructose-6-phosphate, calcium salt, (D)-isomer	HMDB
Fructose-6-phosphate, magnesium (1:1) salt, (D)-isomer	HMDB
Fructose-6-phosphate, sodium salt	HMDB

Molecular Formula

C₆H₁₃O₉P

Average Mass

260.1358

Monoisotopic Mass

260.029718526

IUPAC Name

{[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl]oxy}phosphonic acid

Traditional Name

D-fructose 6-phosphate

CAS Registry Number

643-13-0

SMILES

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

InChI Identifier

InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1

InChI Key

GSXOAOHZAIYLCY-HSUXUTPPSA-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
Acyloin
Beta-hydroxy ketone
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Alpha-hydroxy ketone
Ketone
Secondary alcohol
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

D-fructose 6-phosphate (CHEBI:15946 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	23.2 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-3.4	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	164.75 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	48.43 m³·mol⁻¹	ChemAxon
Polarizability	20.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)	splash10-0gba-1943000000-9b9bb3f9964b519fa26b	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)	splash10-014j-1943000000-0be5d726668730e99be0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)	splash10-014j-1954000000-9fa83268db2925e9478d	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-000b-0934000000-eb61ccae8d0b23564bc7	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-000b-0934000000-c2a49f4f2d11d3e60a9e	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-000j-0925000000-a6b6a121cb447c890019	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0f7a-1934000000-b28e738e5093324060d9	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (1 MEOX; 6 TMS)	splash10-014i-3966000000-fee84a4ec7828d92e8b6	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (1 MEOX; 6 TMS)	splash10-014i-1955000000-32da70382eccbcbbb574	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0gba-1943000000-9b9bb3f9964b519fa26b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-014j-1943000000-0be5d726668730e99be0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-014j-1954000000-9fa83268db2925e9478d	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-000b-0934000000-eb61ccae8d0b23564bc7	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-000b-0934000000-c2a49f4f2d11d3e60a9e	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-000j-0925000000-a6b6a121cb447c890019	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f7a-1934000000-b28e738e5093324060d9	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-014i-3966000000-fee84a4ec7828d92e8b6	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-014i-1955000000-32da70382eccbcbbb574	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0gba-1933000000-1c8febd80da1382bec31	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0k97-9840000000-4f9f16f21249d9870dfa	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-00o9-7934540000-e23e661c1babf5e063a8	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0229-5090000000-281699f4bce06db0b1b0	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-006x-9730000000-b72576e6bb1ae73e6881	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-0kbf-9740000000-130bb715a91e870b5480	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0aor-0690000000-b640c7fba12f06d6bfa2	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-00kb-9710000000-5d6429381cefb6a2bdc7	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-0002-9100000000-51c3f5ca7ef3f190f1df	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-054k-9000000000-75c50b162633f723546d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-004i-9000000000-07895e6c6f3e4a816391	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0aor-0690000000-b640c7fba12f06d6bfa2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-f31b175fc6a9941a2451	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9220000000-962294aed3032864dc90	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-c2dc78595233b4d4df78	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dl-3590000000-3fc4dac2f46082421870	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0c04-9610000000-77e7a6ced5ab4dda6f86	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9200000000-e4500e644878a4632447	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0ar9-9720000000-7ca18e5a32ef069ff21a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9200000000-00032f32c05509571a9f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-5e859d2084880df68725	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000b-9620000000-1a2150ea2d68dcce9b24	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-002b-9000000000-f2969657deda9ac99077	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-d5aaca13a836cb9f1725	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dm-2980000000-ccecfa1c0258f9267846	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9100000000-550809f9719b91a7807a	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-501178ab2f5d5affab48	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Cellular Cytoplasm
Feces
Intestine
Prostate
Saliva

Tissue Locations

Intestine
Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191881	Glucosamine-6-phosphate isomerase 1	Unknown	P46926	Homo sapiens
MMDBp0191884	Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 2	Enzyme	O94808	Homo sapiens
MMDBp0191886	Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1	Enzyme	Q06210	Homo sapiens
MMDBp0192369	6-phosphofructokinase type C	Unknown	Q01813	Homo sapiens
MMDBp0192381	6-phosphofructokinase, liver type	Unknown	P17858	Homo sapiens
MMDBp0192384	6-phosphofructokinase, muscle type	Unknown	P08237	Homo sapiens
MMDBp0192416	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	Enzyme	Q16875	Homo sapiens
MMDBp0192417	Mannose-6-phosphate isomerase	Unknown	P34949	Homo sapiens
MMDBp0192418	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4	Enzyme	Q16877	Homo sapiens
MMDBp0192419	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1	Enzyme	P16118	Homo sapiens
MMDBp0192421	Fructose-1,6-bisphosphatase isozyme 2	Enzyme	O00757	Homo sapiens
MMDBp0192422	Transaldolase	Enzyme	P37837	Homo sapiens
MMDBp0192423	Fructose-1,6-bisphosphatase 1	Unknown	P09467	Homo sapiens
MMDBp0192424	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2	Enzyme	O60825	Homo sapiens
MMDBp0192425	Transketolase	Unknown	P29401	Homo sapiens
MMDBp0192426	Glucose-6-phosphate isomerase	Enzyme	P06744	Homo sapiens
MMDBp0196018	Glucosamine-6-phosphate isomerase 2	Enzyme	Q8TDQ7	Homo sapiens
MMDBp0196993	Fructose-2,6-bisphosphatase TIGAR	Unknown	Q9NQ88

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0001208	D-Fructose 2,6-bisphosphate	Fructose 6-phosphate	Fructose-1,6-bisphosphatase 1	Fructose-2, 6-Bisphosphate 2-Phosphatase	VMH	30371894
MMDBr0001918	Adenosine triphosphate	ADP	Not Available	6-Phosphofructo-2-Kinase	VMH	30371894
MMDBr0002481	Fructose 6-phosphate	Fructose 1,6-bisphosphate	Not Available	UTP:D-Fructose-6-Phosphate 1-Phosphotransferase	VMH	11945275 4276999
MMDBr0002517	D-Fructose	Fructose 6-phosphate	Hexokinase 1	Hexokinase	VMH	16906315 7061426 7150652 8717435
MMDBr0002518	Deoxyadenosine triphosphate	dADP	Hexokinase 1	Hexokinase	VMH	16906315 7061426 7150652 8717435
MMDBr0007058	Fructose 6-phosphate	Acetyl phosphate	Not Available	D-Fructose-6-phosphate D-erythrose-4-phosphate-lyase	VMH	30371894
MMDBr0007399	Fructose 1,6-bisphosphate	Fructose 6-phosphate	Not Available	Fructose-Bisphosphatase	VMH	30371894
MMDBr0007420	beta-D-Glucose 6-phosphate	Fructose 6-phosphate	Not Available	Beta-D-Glucose 6-phosphate ketol-isomerase	VMH	30371894
MMDBr0007424	Fructose 6-phosphate	Glucosamine 6-phosphate	Not Available	Glutamine-Fructose-6-Phosphate Transaminase	VMH	30371894
MMDBr0007484	Mannose 6-phosphate	Fructose 6-phosphate	Not Available	Mannose-6-Phosphate Isomerase	VMH	30371894
MMDBr0007521	Glucose 6-phosphate	Fructose 6-phosphate	Not Available	Glucose-6-Phosphate Isomerase	VMH	30371894
MMDBr0007574	Glyceraldehyde 3-phosphate	D-Erythrose 4-phosphate	Not Available	Transaldolase	VMH	30371894
MMDBr0007579	D-Erythrose 4-phosphate	Fructose 6-phosphate	Not Available	Transketolase	VMH	30371894
MMDBr0007819	Glucosamine 6-phosphate	Fructose 6-phosphate	Not Available	Glucosamine-6-Phosphate Deaminase	VMH	30371894
MMDBr0007864	Adenosine triphosphate	ADP	Not Available	Hexokinase (D-Fructose:ATP)	VMH	30371894
MMDBr0007936	Adenosine triphosphate	ADP	Not Available	Phosphofructokinase	VMH	30371894
MMDBr0007962	NAD	Fructose 6-phosphate	Not Available	Sorbitol-6-phosphate dehydrogenase	VMH	30371894
MMDBr0008268	Fructose 6-phosphate	Fructose 1,6-bisphosphate	Not Available		VMH	30371894
MMDBr0010598	beta-D-Glucose 6-phosphate	Fructose 6-phosphate	Glucose-6-phosphate isomerase	Beta-D-Glucose 6-Phosphate Ketol-Isomerase	VMH	30371894
MMDBr0013091	Fructose 6-phosphate	Acetyl phosphate	Xylulose-5-phosphate/fructose-6-phosphate phosphoketolase	Carbon-carbon bond cleavage	RHEA	34755880
MMDBr0013110	D-mannose 6-phosphate	Fructose 6-phosphate	Alginate biosynthesis protein AlgA	Isomerization	RHEA	34755880
MMDBr0013500	Adenosine triphosphate	ADP	Hexokinase	Phosphorylation	RHEA	34755880
MMDBr0013501	Adenosine triphosphate	ADP	Hexokinase	Phosphorylation	RHEA	34755880
MMDBr0014833	D-Allulose-6-phosphate	Fructose 6-phosphate	D-allulose-6-phosphate 3-epimerase	Epimerization	RHEA	34755880
MMDBr0016562	keto-D-tagatose 6-phosphate	Fructose 6-phosphate	D-tagatose 6-phosphate 4-epimerase	Epimerization	RHEA	34755880
MMDBr0017851	Fructose 6-phosphate	D-glucosamine 6-phosphate	Glutamine--fructose-6-phosphate aminotransferase [isomerizing]	Amine group addition	RHEA	34755880
MMDBr0018095	beta-D-Glucose 6-phosphate	Fructose 6-phosphate	Glucose-6-phosphate isomerase	Isomerization	PathBank	31602464
MMDBr0018096	Fructose 6-phosphate	Water	Fructose-1,6-bisphosphatase class 1	Dephosphorylation	PathBank	31602464
MMDBr0018097	Fructose 6-phosphate	Hydrogen Ion	ATP-dependent 6-phosphofructokinase isozyme 2	Phosphorylation	PathBank	31602464
MMDBr0018638	L-Glutamine	L-Glutamic acid	Glutamine--fructose-6-phosphate aminotransferase [isomerizing]	Amine group addition	PathBank	31602464
MMDBr0018834	Hydrogen Ion	NAD	Mannitol-1-phosphate 5-dehydrogenase	Dehydrogenation	PathBank	31602464
MMDBr0019154	NAD	Hydrogen Ion	Sorbitol-6-phosphate 2-dehydrogenase	Dehydrogenation	PathBank	31602464
MMDBr0019459	Fructose 6-phosphate	Glucose 6-phosphate	Glucose-6-phosphate isomerase	Isomerization	PathBank	31602464
MMDBr0019460	beta-D-Glucose 6-phosphate	Fructose 6-phosphate	Glucose-6-phosphate isomerase	Isomerization	PathBank	31602464
MMDBr0019461	Fructose 6-phosphate	Fructose 1,6-bisphosphate	ATP-dependent 6-phosphofructokinase subunit alpha	Phosphorylation	PathBank	31602464
MMDBr0020669	alpha-D-mannose 6-phosphate	Fructose 6-phosphate	Mannose-6-phosphate isomerase	Isomerization	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Alzheimer's disease	Slight Increase	Association	Human Saliva	HMDB	23857558
Frontotemporal dementia	Increased	Association	Human Saliva	HMDB	23857558

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	247	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human subgingival plaque; Chicken	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	425	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	140	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human subgingival plaque; Human supragingival plaque; Human urine	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	4	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	21	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	16	Human feces; Human saliva	Unknown
Eukaryota/Fungi	Basidiomycota	1
Archaea/Archaea	Crenarchaeota	4		Metabolic reconstruction
Bacteria	Aquificae	1
Archaea/Archaea	Euryarchaeota	13		Metabolic reconstruction
Eukaryota/Fungi	Microsporidia	1
Bacteria	Chlamydiae	5	Human ; Sheep
Bacteria	Chlorobi	1
Bacteria	Cyanobacteria	2
Bacteria	nah	2
Bacteria	Thermotogae	1
Bacteria	Deinococcus-thermus	2
Viruses/Bamfordvirae	Nucleocytoviricota	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Milk	Bos taurus	FooDB	31437929
Plant	Root	Daucus carota ssp. sativus	FooDB	31437929

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
Human Saliva	Detected and Quantified	1.01	0.47			uM	Adult (>18 years old)	Male	Alzheimer's disease	HMDB	23857558
Human Saliva	Detected and Quantified	1.46	0.81			uM	Adult (>18 years old)	Male	Frontotemporal lobe dementia	HMDB	23857558
Human Saliva	Detected and Quantified	1.57	1.71			uM	Adult (>18 years old)	Both	Lewy body disease	HMDB	23857558
Human Cellular cytoplasm	Detected and Quantified	49.6				uM	Adult (>18 years old)	Both	Normal	HMDB	15925468
Human Saliva	Detected and Quantified	1.73	0.81			uM	Adult (>18 years old)	Female	Normal	HMDB	23857558
Human Cellular cytoplasm	Detected and Quantified	16.0		13.0	19.0	uM	Adult (>18 years old)	Both	Normal	HMDB	15882454
Human Blood	Detected and Quantified	10.2	1.8			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	9.9	2.3			uM	Newborn (0-30 days old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Saliva	Detected and Quantified	0.173	0.176			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.208	0.352			uM	Adult (>18 years old)	Male	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.210	0.164			uM	Adult (>18 years old)	Both	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.368	0.249			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.370	0.197			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.403	0.286			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.413	0.225			uM	Adult (>18 years old)	Both	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.551	0.364			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Intestine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0000124

DrugBank ID

DB04493

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021896

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

15946

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Roberts NB, Dutton J, Helliwell T, Rothwell PJ, Kavanagh JP: Pyrophosphate in synovial fluid and urine and its relationship to urinary risk factors for stone disease. Ann Clin Biochem. 1992 Sep;29 ( Pt 5):529-34. doi: 10.1177/000456329202900507. [PubMed:1332571 ]
Gapparov MM, Virovets OA: [Nonenzymatic glycosylation of serum albumin and thymic DNA by food monosugars and their natural metabolites that form in the body]. Vopr Pitan. 1990 Jan-Feb;(1):36-40. [PubMed:2346009 ]
Karlander S, Roovete A, Vranic M, Efendic S: Glucose and fructose 6-phosphate cycle in humans. Am J Physiol. 1986 Nov;251(5 Pt 1):E530-6. doi: 10.1152/ajpendo.1986.251.5.E530. [PubMed:3777162 ]
Alton G, Hasilik M, Niehues R, Panneerselvam K, Etchison JR, Fana F, Freeze HH: Direct utilization of mannose for mammalian glycoprotein biosynthesis. Glycobiology. 1998 Mar;8(3):285-95. doi: 10.1093/glycob/8.3.285. [PubMed:9451038 ]
Gagnon M, Kheadr EE, Le Blay G, Fliss I: In vitro inhibition of Escherichia coli O157:H7 by bifidobacterial strains of human origin. Int J Food Microbiol. 2004 Apr 1;92(1):69-78. doi: 10.1016/j.ijfoodmicro.2003.07.010. [PubMed:15033269 ]
Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. doi: 10.1186/1742-4682-2-18. [PubMed:15882454 ]
Markuszewski MJ, Szczykowska M, Siluk D, Kaliszan R: Human red blood cells targeted metabolome analysis of glycolysis cycle metabolites by capillary electrophoresis using an indirect photometric detection method. J Pharm Biomed Anal. 2005 Sep 15;39(3-4):636-42. doi: 10.1016/j.jpba.2005.04.015. [PubMed:15925468 ]
Wamelink MM, Struys EA, Huck JH, Roos B, van der Knaap MS, Jakobs C, Verhoeven NM: Quantification of sugar phosphate intermediates of the pentose phosphate pathway by LC-MS/MS: application to two new inherited defects of metabolism. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 25;823(1):18-25. doi: 10.1016/j.jchromb.2005.01.001. Epub 2005 Jan 23. [PubMed:16055050 ]
Sanchez B, Champomier-Verges MC, Anglade P, Baraige F, de Los Reyes-Gavilan CG, Margolles A, Zagorec M: Proteomic analysis of global changes in protein expression during bile salt exposure of Bifidobacterium longum NCIMB 8809. J Bacteriol. 2005 Aug;187(16):5799-808. doi: 10.1128/JB.187.16.5799-5808.2005. [PubMed:16077128 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]

Showing metabocard for Fructose 6-phosphate (MMDBc0029473)

MOL for #<Metabolite:0x00007f5abd925df0>

3D MOL for #<Metabolite:0x00007f5abd925df0>

3D SDF for #<Metabolite:0x00007f5abd925df0>

3D-SDF for #<Metabolite:0x00007f5abd925df0>

PDB for #<Metabolite:0x00007f5abd925df0>

3D PDB for #<Metabolite:0x00007f5abd925df0>

SMILES for #<Metabolite:0x00007f5abd925df0>

INCHI for #<Metabolite:0x00007f5abd925df0>

Structure for #<Metabolite:0x00007f5abd925df0>

3D Structure for #<Metabolite:0x00007f5abd925df0>