MiMeDB: Showing metabocard for beta-D-Fructose 6-phosphate (MMDBc0029750)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:40:05 UTC

Update Date

2024-04-30 19:41:43 UTC

Metabolite ID

MMDBc0029750

Metabolite Identification

Common Name

beta-D-Fructose 6-phosphate

Description

Beta-D-Fructose 6 phosphate (b-F6P) is the beta-anomer of fructose-6-phosphate. There are two anomers of fructose 6 phosphate, the alpha anomer and the beta anomer. Specifically, beta-D-fructose 6-phosphate is fructose sugar phosphorylated on carbon 6. Beta-D-Fructose 6-phosphate is a substrate for Fructose-1,6-bisphosphatase, Pyruvate kinase (isozymes R/L), Hexokinase (type I), Fructose-bisphosphate aldolase A, L-lactate dehydrogenase B chain, Glyceraldehyde-3-phosphate dehydrogenase and Transaldolase.

Structure

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

HMDB0003971
     RDKit          3D
Beta-D-Fructose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.2740   -0.9476   -1.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.3500    0.0237 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.0688    0.7234    0.5509 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6940   -1.5646    1.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.4987   -0.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946   -0.3611   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089    0.4276   -0.7061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9504   -0.3628   -1.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.2699   -0.1309 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6224   -1.1261    0.9229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3107   -0.5631   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2901   -1.8736   -1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    1.1424    0.3967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4372    1.3249    1.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707    1.1291    0.5800 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2504    2.3812    0.7058 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645    1.1735   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4528   -2.3987    0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -1.1221    0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -0.8322   -1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620    1.2106   -1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -1.9650    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0963   -0.5141    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5616    0.0830   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9998   -2.4306   -0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166    1.9115   -0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302    1.7300    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.4523    1.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    2.4933    1.6219 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  1
  9 11  1  0
 11 12  1  0
  9 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
 10 22  1  0
 11 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  1
 16 29  1  0
M  END


  Mrv1652309042000302D          

 16 16  0  0  1  0            999 V2000
   25.4547  -12.4935    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   24.9698  -11.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1221  -12.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9397  -13.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5573   -9.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7669   -9.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7998  -10.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3544  -11.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9193  -10.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7873  -12.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7368   -9.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1493  -11.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2519   -9.9752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6644  -11.2448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.5844  -10.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.8394  -11.2448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 10  2  0  0  0  0
  2 12  1  0  0  0  0
  5 11  1  0  0  0  0
 13  6  1  6  0  0  0
 15  7  1  6  0  0  0
 16  8  1  1  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 11  1  1  0  0  0
 14 12  1  6  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029750

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

> <INCHI_KEY>
BGWGXPAPYGQALX-ARQDHWQXSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.920194475195775

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.11

> <JCHEM_LOGP>
-2.881565349333333

> <ALOGPS_LOGS>
-0.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.247455552280457

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.221675286190254

> <JCHEM_PKA_STRONGEST_BASIC>
-3.450967575782875

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
47.2337

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.34e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003971
     RDKit          3D
Beta-D-Fructose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.2740   -0.9476   -1.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.3500    0.0237 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.0688    0.7234    0.5509 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6940   -1.5646    1.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.4987   -0.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946   -0.3611   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089    0.4276   -0.7061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9504   -0.3628   -1.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.2699   -0.1309 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6224   -1.1261    0.9229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3107   -0.5631   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2901   -1.8736   -1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    1.1424    0.3967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4372    1.3249    1.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707    1.1291    0.5800 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2504    2.3812    0.7058 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645    1.1735   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4528   -2.3987    0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -1.1221    0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -0.8322   -1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620    1.2106   -1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -1.9650    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0963   -0.5141    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5616    0.0830   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9998   -2.4306   -0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166    1.9115   -0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302    1.7300    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.4523    1.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    2.4933    1.6219 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  1
  9 11  1  0
 11 12  1  0
  9 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
 10 22  1  0
 11 23  1  0
 11 24  1  0
 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  P   UNK     0      47.515 -23.321   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      46.610 -22.075   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      48.761 -22.416   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      48.421 -24.567   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      45.840 -17.535   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      42.498 -17.375   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      40.693 -19.050   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      41.728 -22.236   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      44.649 -19.526   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      46.270 -24.226   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      44.309 -17.375   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      45.079 -22.236   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      43.404 -18.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      44.174 -20.990   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      42.158 -19.526   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      42.634 -20.990   0.000  0.00  0.00           C+0
CONECT    1    2    3    4   10                                             
CONECT    2    1   12                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5   11                                                            
CONECT    6   13                                                            
CONECT    7   15                                                            
CONECT    8   16                                                            
CONECT    9   13   14                                                       
CONECT   10    1                                                            
CONECT   11    5   13                                                       
CONECT   12    2   14                                                       
CONECT   13    6    9   11   15                                             
CONECT   14    9   12   16                                                  
CONECT   15    7   13   16                                                  
CONECT   16    8   14   15                                                  
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0003971
HETATM    1  O1  UNL     1       4.274  -0.948  -1.302  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.860  -0.350   0.024  1.00  0.00           P  
HETATM    3  O2  UNL     1       5.069   0.723   0.551  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.694  -1.565   1.190  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.424   0.499  -0.168  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.395  -0.361  -0.539  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.109   0.428  -0.706  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.950  -0.363  -1.073  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.937  -0.270  -0.131  1.00  0.00           C  
HETATM   10  O6  UNL     1      -1.622  -1.126   0.923  1.00  0.00           O  
HETATM   11  C4  UNL     1      -3.311  -0.563  -0.654  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.290  -1.874  -1.149  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.796   1.142   0.397  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.437   1.325   1.608  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.271   1.129   0.580  1.00  0.00           C  
HETATM   16  O9  UNL     1       0.250   2.381   0.706  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.465   1.174  -0.252  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.453  -2.399   0.707  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.276  -1.122   0.257  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.683  -0.832  -1.479  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.262   1.211  -1.477  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.202  -1.965   0.601  1.00  0.00           H  
HETATM   23  H7  UNL     1      -4.096  -0.514   0.095  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.562   0.083  -1.520  1.00  0.00           H  
HETATM   25  H9  UNL     1      -4.000  -2.431  -0.752  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.017   1.911  -0.354  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.330   1.730   1.417  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.050   0.452   1.437  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.659   2.493   1.622  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   13
CONECT   10   22
CONECT   11   12   23   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END

HMDB0003971
     RDKit          3D
Beta-D-Fructose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.2740   -0.9476   -1.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.3500    0.0237 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.0688    0.7234    0.5509 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6940   -1.5646    1.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.4987   -0.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946   -0.3611   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089    0.4276   -0.7061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9504   -0.3628   -1.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.2699   -0.1309 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6224   -1.1261    0.9229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3107   -0.5631   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2901   -1.8736   -1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    1.1424    0.3967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4372    1.3249    1.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707    1.1291    0.5800 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2504    2.3812    0.7058 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645    1.1735   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4528   -2.3987    0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -1.1221    0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -0.8322   -1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620    1.2106   -1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -1.9650    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0963   -0.5141    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5616    0.0830   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9998   -2.4306   -0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166    1.9115   -0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302    1.7300    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.4523    1.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    2.4933    1.6219 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  1
  9 11  1  0
 11 12  1  0
  9 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
 10 22  1  0
 11 23  1  0
 11 24  1  0
 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-O-Phosphono-beta-D-fructofuranose	ChEBI
FRUCTOSE-6-phosphATE	ChEBI
6-O-Phosphono-b-D-fructofuranose	Generator
6-O-Phosphono-β-D-fructofuranose	Generator
FRUCTOSE-6-phosphoric acid	Generator
b-D-Fructose 6-phosphate	Generator
b-D-Fructose 6-phosphoric acid	Generator
beta-D-Fructose 6-phosphoric acid	Generator
Β-D-fructose 6-phosphate	Generator
Β-D-fructose 6-phosphoric acid	Generator

Molecular Formula

C₆H₁₃O₉P

Average Mass

260.1358

Monoisotopic Mass

260.029718526

IUPAC Name

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

Traditional Name

β-D-fructofuranose 6-phosphate

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

InChI Key

BGWGXPAPYGQALX-ARQDHWQXSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose 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

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
C-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Monoalkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Alkyl phosphate
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Polyol
Organoheterocyclic compound
Oxacycle
Primary alcohol
Alcohol
Hydrocarbon derivative
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-fructofuranose 6-phosphate (CHEBI:16084 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	33.4 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.9	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.5	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	4	ChemAxon
Refractivity	47.23 m³·mol⁻¹	ChemAxon
Polarizability	20.92 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

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9422000000-bee9b5c8192cd70afd4b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9422000000-bee9b5c8192cd70afd4b	2018-05-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9330000000-5c27e76b48f712dafdf1	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-0540-8097650000-bd7cf45abb555a5c08da	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
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0002-9200000000-890d2bc5c099d333bb87	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0a4i-0090000000-9e5a9a987b6541abb2c7	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0ab9-0000509000-ba24f5137a9692d147ab	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-2980000000-6b021fc643037857d79c	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dj-6950000000-9aeea6f58646b1ddfd2d	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00ds-9300000000-163fede30ff57a757356	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-7390000000-3b9471399e651e34edcb	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-107d49541ec3b4b1213f	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-9182363b16cd6b3e720b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-3090000000-7ae40fd439a28bd2393e	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9010000000-53fac253975be4bb66f7	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dj-1790000000-cf4773c8e21b0c55570e	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9810000000-21980e2a6a612b295b9d	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000t-9000000000-a08dc200cb22f420d5bc	2021-09-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Prostate

Tissue Locations

Prostate

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
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
MMDBp0192420	Transketolase-like protein 1	Unknown	P51854	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
MMDBp0194056	Transketolase-like protein 2	Unknown	Q9H0I9	Homo sapiens
MMDBp0196842	Putative hexokinase HKDC1	Unknown	Q2TB90
MMDBp0196993	Fructose-2,6-bisphosphatase TIGAR	Unknown	Q9NQ88

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

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	410	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Pig ; Cattle ; River trout ; Turkey ; Sheep ; Lion ; Chicken ; Human subgingival plaque; Rat ; Human sputum	Unknown
Bacteria	Aquificae	4
Archaea/Archaea	Euryarchaeota	28
Bacteria	Thermotogae	10
Bacteria	Actinobacteria	55	Cattle ; Human ; Human feces
Bacteria	Cyanobacteria	34	Human
Bacteria	Bacteroidetes	14	Human ; Human feces; Human saliva; Human subgingival plaque
Bacteria	Firmicutes	170	Human feces; Human ; Cattle ; Human supragingival plaque; Human saliva; Catfish
Eukaryota/Fungi	Ascomycota	37	Human feces; Human saliva; Human supragingival plaque	Unknown
Bacteria	Chlorobi	11
Bacteria	Spirochaetes	16	Human ; Pig
Bacteria	Verrucomicrobia	2
Bacteria	nah	1
Bacteria	Fusobacteria	1	Human ; Human feces
Archaea/Archaea	Thaumarchaeota	2
Archaea/Archaea	Crenarchaeota	6
Bacteria	Deinococcus-thermus	5
Bacteria	Tenericutes	18	Goat ; Human ; Pig
Eukaryota/Fungi	Basidiomycota	1	Human feces
Bacteria	Chlamydiae	10	Human ; Sheep ; Cat
Eukaryota/Fungi	Microsporidia	1
Bacteria	Elusimicrobia	1
Bacteria	Chloroflexi	7
Archaea	nah	2
Bacteria	Planctomycetes	1
Bacteria	Dictyoglomi	2
Archaea/Archaea	nah	1
Bacteria	Acidobacteria	1
Bacteria	Nitrospirae	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0003971

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Fructose_6-phosphate

METLIN ID

Not Available

PubChem Compound

440641

PDB ID

Not Available

ChEBI ID

16084

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 ]
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 ]
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 beta-D-Fructose 6-phosphate (MMDBc0029750)

MOL for #<Metabolite:0x00007fed16630cd0>

3D MOL for #<Metabolite:0x00007fed16630cd0>

3D SDF for #<Metabolite:0x00007fed16630cd0>

3D-SDF for #<Metabolite:0x00007fed16630cd0>

PDB for #<Metabolite:0x00007fed16630cd0>

3D PDB for #<Metabolite:0x00007fed16630cd0>

SMILES for #<Metabolite:0x00007fed16630cd0>

INCHI for #<Metabolite:0x00007fed16630cd0>

Structure for #<Metabolite:0x00007fed16630cd0>

3D Structure for #<Metabolite:0x00007fed16630cd0>