MiMeDB: Showing metabocard for Fructose 1-phosphate (MMDBc0029545)

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:31:44 UTC

Update Date

2024-04-30 19:37:40 UTC

Metabolite ID

MMDBc0029545

Metabolite Identification

Common Name

Fructose 1-phosphate

Description

Fructose 1-phosphate is an intermediate metabolite in the Fructose and mannose metabolism pathway. It is generated by fructokinase and it is broken down by aldolase B into glyceraldehyde and dihydroxyacetone phosphate (DHAP).

Structure

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

HMDB0001076
     RDKit          3D
Fructose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.3041    1.6591    0.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5075    0.4289    0.1577 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3646   -0.5874    1.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975   -0.4441   -1.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290    0.8658   -0.2985 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903   -0.3132   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -0.0742   -0.9315 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1625   -0.1913   -2.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110   -1.0657   -0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936   -0.4994    0.6534 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8768   -1.3521    0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -2.4685    1.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    0.8388    0.0352 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5701    1.7309    0.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7014    1.2502   -0.4612 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7506    2.2165   -1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392   -1.5049    1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7154   -1.1845   -0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335   -0.6601    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265   -1.1144   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301    0.6022   -2.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -0.2811    1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6096   -0.8292    1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3181   -1.7401    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8493   -3.0290    1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7877    0.6929   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    2.6620    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417    1.6104    0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.7813   -1.3231 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  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 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
  8 21  1  0
 10 22  1  1
 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


  Mrv1652309042000172D          

 16 16  0  0  1  0            999 V2000
    8.7542   -9.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3672   -8.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1519   -8.8724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8193   -8.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4868   -8.8724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1745   -9.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0388   -8.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8458   -8.4308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3978   -7.8177    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.0109   -8.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7847   -7.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9498   -7.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2318   -9.6570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7168  -10.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4068   -9.6570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9219  -10.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  6  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029545

> <DATABASE_NAME>
MIME

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

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

> <INCHI_KEY>
RHKKZBWRNHGJEZ-ARQDHWQXSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
21.063454724506986

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S,5R)-2,3,4-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>
6.189865965130803

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1613270396969364

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9814292193362135

> <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>
[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001076
     RDKit          3D
Fructose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.3041    1.6591    0.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5075    0.4289    0.1577 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3646   -0.5874    1.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975   -0.4441   -1.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290    0.8658   -0.2985 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903   -0.3132   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -0.0742   -0.9315 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1625   -0.1913   -2.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110   -1.0657   -0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936   -0.4994    0.6534 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8768   -1.3521    0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -2.4685    1.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    0.8388    0.0352 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5701    1.7309    0.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7014    1.2502   -0.4612 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7506    2.2165   -1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392   -1.5049    1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7154   -1.1845   -0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335   -0.6601    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265   -1.1144   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301    0.6022   -2.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -0.2811    1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6096   -0.8292    1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3181   -1.7401    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8493   -3.0290    1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7877    0.6929   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    2.6620    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417    1.6104    0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.7813   -1.3231 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  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 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
  8 21  1  0
 10 22  1  1
 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  O   UNK     0      16.341 -17.116   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      17.485 -16.086   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.950 -16.562   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      20.196 -15.657   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      21.442 -16.562   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      22.726 -17.179   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      22.472 -15.417   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      23.979 -15.737   0.000  0.00  0.00           O+0
HETATM    9  P   UNK     0      25.009 -14.593   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0      26.154 -15.623   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      23.865 -13.563   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      26.040 -13.449   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      20.966 -18.026   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      21.871 -19.272   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      19.426 -18.026   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      18.521 -19.272   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   15                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7   13                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
CONECT   13    5   14   15                                                  
CONECT   14   13                                                            
CONECT   15    3   13   16                                                  
CONECT   16   15                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0001076
HETATM    1  O1  UNL     1       4.304   1.659   0.484  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.508   0.429   0.158  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.365  -0.587   1.497  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.197  -0.444  -1.126  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.929   0.866  -0.299  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.190  -0.313  -0.323  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.168  -0.074  -0.931  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.162  -0.191  -2.318  1.00  0.00           O  
HETATM    9  O6  UNL     1      -1.011  -1.066  -0.434  1.00  0.00           O  
HETATM   10  C3  UNL     1      -1.694  -0.499   0.653  1.00  0.00           C  
HETATM   11  C4  UNL     1      -2.877  -1.352   0.989  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.378  -2.468   1.679  1.00  0.00           O  
HETATM   13  C5  UNL     1      -2.084   0.839   0.035  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.570   1.731   0.973  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.701   1.250  -0.461  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.751   2.217  -1.441  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.139  -1.505   1.220  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.715  -1.185  -0.740  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.034  -0.660   0.729  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.727  -1.114  -0.882  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.230   0.602  -2.748  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.033  -0.281   1.504  1.00  0.00           H  
HETATM   23  H7  UNL     1      -3.610  -0.829   1.621  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.318  -1.740   0.059  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.849  -3.029   1.045  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.788   0.693  -0.823  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.268   2.662   0.766  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.142   1.610   0.438  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.067   2.781  -1.323  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    9   15
CONECT    8   21
CONECT    9   10
CONECT   10   11   13   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

HMDB0001076
     RDKit          3D
Fructose 1-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    4.3041    1.6591    0.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5075    0.4289    0.1577 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3646   -0.5874    1.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975   -0.4441   -1.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290    0.8658   -0.2985 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903   -0.3132   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -0.0742   -0.9315 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1625   -0.1913   -2.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110   -1.0657   -0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936   -0.4994    0.6534 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8768   -1.3521    0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -2.4685    1.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    0.8388    0.0352 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5701    1.7309    0.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7014    1.2502   -0.4612 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7506    2.2165   -1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392   -1.5049    1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7154   -1.1845   -0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335   -0.6601    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265   -1.1144   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301    0.6022   -2.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -0.2811    1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6096   -0.8292    1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3181   -1.7401    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8493   -3.0290    1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7877    0.6929   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    2.6620    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417    1.6104    0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.7813   -1.3231 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  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 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
  8 21  1  0
 10 22  1  1
 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
beta-D-Fructose 1-phosphate	ChEBI
b-D-Fructose 1-phosphate	Generator
b-D-Fructose 1-phosphoric acid	Generator
beta-D-Fructose 1-phosphoric acid	Generator
Β-D-fructose 1-phosphate	Generator
Β-D-fructose 1-phosphoric acid	Generator
Fructose 1-phosphoric acid	Generator
D-Fructose 1-phosphate	HMDB
D-Fructose-1-p	HMDB
D-Fructose-1-phosphate	HMDB
Fructose-1-p	HMDB
Fructose-1-phosphate	HMDB
b-D-Fructofuranose 1-phosphate	Generator
b-D-Fructofuranose 1-phosphoric acid	Generator
beta-D-Fructofuranose 1-phosphoric acid	Generator
Β-D-fructofuranose 1-phosphate	Generator
Β-D-fructofuranose 1-phosphoric acid	Generator

Molecular Formula

C₆H₁₃O₉P

Average Mass

260.1358

Monoisotopic Mass

260.029718526

IUPAC Name

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

Traditional Name

[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

15978-08-2

SMILES

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

InChI Identifier

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

InChI Key

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

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)	1.16	ChemAxon
pKa (Strongest Basic)	-3	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	21.06 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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-9510000000-71d828159b61f8342118	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-001i-2912320000-08ffe3d23f5fa5d6162c	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 (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dm-9470000000-18ac582a370338a3f5f1	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01oy-7390000000-1a5a72af8bb734e50eb8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-009y-9100000000-4f151f373d7730140f38	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-9270000000-5af91634007091008210	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-5cf3f457b8c6f6270b68	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-4e6feccf18943de8c419	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-1090000000-03030e5df4374fea160c	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004j-9140000000-be637d8fd4ff371117c8	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9010000000-26f483248da003aafbdb	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0190000000-6beaa046be46044471be	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01p2-6920000000-7fd7dcf4a4f1479d91b1	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052b-9100000000-60f4d9de70c1b7a7e1de	2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	575.9
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	446.1
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	51.1
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	235.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	309.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	305.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	546.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	830.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	935.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	169.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	417.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	183.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	21.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	536.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	777.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	81.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	328.3
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	759.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	607.3

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Fructose 1-phosphate_TMS_1	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1899.05
Gas Chromatography	Fructose 1-phosphate_TMS_2	C[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2323.83
Gas Chromatography	Fructose 1-phosphate_TMS_3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O)O	standard non polar	2025-10-23	1522.29
Gas Chromatography	Fructose 1-phosphate_TMS_4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1CO	standard non polar	2025-10-23	1768.77
Gas Chromatography	Fructose 1-phosphate_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	982.024
Gas Chromatography	Fructose 1-phosphate_TMS_6	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1927.02
Gas Chromatography	Fructose 1-phosphate_TMS_7	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1643.57
Gas Chromatography	Fructose 1-phosphate_TMS_8	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1611.15
Gas Chromatography	Fructose 1-phosphate_TMS_9	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1702.23
Gas Chromatography	Fructose 1-phosphate_TMS_10	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	1468.94
Gas Chromatography	Fructose 1-phosphate_TMS_11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1151.42
Gas Chromatography	Fructose 1-phosphate_TMS_12	C[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1926.88
Gas Chromatography	Fructose 1-phosphate_TMS_13	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O)O	standard non polar	2025-10-23	1595.57
Gas Chromatography	Fructose 1-phosphate_TMS_14	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1937.05
Gas Chromatography	Fructose 1-phosphate_TMS_15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	2074.52
Gas Chromatography	Fructose 1-phosphate_TMS_16	C[Si](C)(C)OP(=O)(OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1559.5
Gas Chromatography	Fructose 1-phosphate_TMS_17	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2519.67
Gas Chromatography	Fructose 1-phosphate_TMS_18	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1635.58
Gas Chromatography	Fructose 1-phosphate_TMS_19	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2039.84
Gas Chromatography	Fructose 1-phosphate_TMS_20	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	905.418
Gas Chromatography	Fructose 1-phosphate_TMS_21	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1695.92
Gas Chromatography	Fructose 1-phosphate_TMS_22	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1984.98
Gas Chromatography	Fructose 1-phosphate_TMS_23	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2077.84
Gas Chromatography	Fructose 1-phosphate_TMS_24	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1457.26
Gas Chromatography	Fructose 1-phosphate_TMS_25	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	1626.22
Gas Chromatography	Fructose 1-phosphate_TMS_26	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2283.33
Gas Chromatography	Fructose 1-phosphate_TMS_27	C[Si](C)(C)O[C@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2578.29
Gas Chromatography	Fructose 1-phosphate_TMS_28	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	2490.58
Gas Chromatography	Fructose 1-phosphate_TMS_29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1518.68
Gas Chromatography	Fructose 1-phosphate_TMS_30	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	1424.23
Gas Chromatography	Fructose 1-phosphate_TMS_31	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1742.38
Gas Chromatography	Fructose 1-phosphate_TMS_32	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2404.85
Gas Chromatography	Fructose 1-phosphate_TMS_33	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	744.653
Gas Chromatography	Fructose 1-phosphate_TMS_34	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2191.11
Gas Chromatography	Fructose 1-phosphate_TMS_35	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1964.14
Gas Chromatography	Fructose 1-phosphate_TMS_36	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2549.58
Gas Chromatography	Fructose 1-phosphate_TMS_37	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1871.75
Gas Chromatography	Fructose 1-phosphate_TMS_38	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1877.69
Gas Chromatography	Fructose 1-phosphate_TMS_39	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	2533.95
Gas Chromatography	Fructose 1-phosphate_TMS_40	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2281.14
Gas Chromatography	Fructose 1-phosphate_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1707.14
Gas Chromatography	Fructose 1-phosphate_TMS_42	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2632.75
Gas Chromatography	Fructose 1-phosphate_TMS_43	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1302.94
Gas Chromatography	Fructose 1-phosphate_TMS_44	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	964.056
Gas Chromatography	Fructose 1-phosphate_TMS_45	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1802.37
Gas Chromatography	Fructose 1-phosphate_TMS_46	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1811.08
Gas Chromatography	Fructose 1-phosphate_TMS_47	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1327.15
Gas Chromatography	Fructose 1-phosphate_TMS_1	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1698.24
Gas Chromatography	Fructose 1-phosphate_TMS_2	C[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1908.73
Gas Chromatography	Fructose 1-phosphate_TMS_3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O)O	standard polar	2025-10-23	2194.79
Gas Chromatography	Fructose 1-phosphate_TMS_4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1CO	standard polar	2025-10-23	1903.56
Gas Chromatography	Fructose 1-phosphate_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1613.88
Gas Chromatography	Fructose 1-phosphate_TMS_6	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2687.42
Gas Chromatography	Fructose 1-phosphate_TMS_7	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2001.19
Gas Chromatography	Fructose 1-phosphate_TMS_8	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1643.76
Gas Chromatography	Fructose 1-phosphate_TMS_9	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2530.18
Gas Chromatography	Fructose 1-phosphate_TMS_10	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	1837.44
Gas Chromatography	Fructose 1-phosphate_TMS_11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	1661.96
Gas Chromatography	Fructose 1-phosphate_TMS_12	C[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1714.82
Gas Chromatography	Fructose 1-phosphate_TMS_13	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O)O	standard polar	2025-10-23	2198.82
Gas Chromatography	Fructose 1-phosphate_TMS_14	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2169.98
Gas Chromatography	Fructose 1-phosphate_TMS_15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	2057.53
Gas Chromatography	Fructose 1-phosphate_TMS_16	C[Si](C)(C)OP(=O)(OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	2224.1
Gas Chromatography	Fructose 1-phosphate_TMS_17	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2103.34
Gas Chromatography	Fructose 1-phosphate_TMS_18	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2324.15
Gas Chromatography	Fructose 1-phosphate_TMS_19	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2636.11
Gas Chromatography	Fructose 1-phosphate_TMS_20	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1416.68
Gas Chromatography	Fructose 1-phosphate_TMS_21	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1686.15
Gas Chromatography	Fructose 1-phosphate_TMS_22	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2102.07
Gas Chromatography	Fructose 1-phosphate_TMS_23	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1698.67
Gas Chromatography	Fructose 1-phosphate_TMS_24	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	1740.74
Gas Chromatography	Fructose 1-phosphate_TMS_25	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	2844.53
Gas Chromatography	Fructose 1-phosphate_TMS_26	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2267.91
Gas Chromatography	Fructose 1-phosphate_TMS_27	C[Si](C)(C)O[C@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2320.98
Gas Chromatography	Fructose 1-phosphate_TMS_28	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1685.82
Gas Chromatography	Fructose 1-phosphate_TMS_29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2212.58
Gas Chromatography	Fructose 1-phosphate_TMS_30	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	2203.47
Gas Chromatography	Fructose 1-phosphate_TMS_31	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1060.48
Gas Chromatography	Fructose 1-phosphate_TMS_32	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2584.95
Gas Chromatography	Fructose 1-phosphate_TMS_33	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2171.83
Gas Chromatography	Fructose 1-phosphate_TMS_34	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1823.69
Gas Chromatography	Fructose 1-phosphate_TMS_35	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2102.21
Gas Chromatography	Fructose 1-phosphate_TMS_36	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2056.66
Gas Chromatography	Fructose 1-phosphate_TMS_37	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1942.21
Gas Chromatography	Fructose 1-phosphate_TMS_38	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2819.25
Gas Chromatography	Fructose 1-phosphate_TMS_39	C[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	1780.47
Gas Chromatography	Fructose 1-phosphate_TMS_40	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1316.52
Gas Chromatography	Fructose 1-phosphate_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2557.5
Gas Chromatography	Fructose 1-phosphate_TMS_42	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1512.37
Gas Chromatography	Fructose 1-phosphate_TMS_43	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2712.55
Gas Chromatography	Fructose 1-phosphate_TMS_44	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2327.12
Gas Chromatography	Fructose 1-phosphate_TMS_45	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2000.4
Gas Chromatography	Fructose 1-phosphate_TMS_46	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1570.96
Gas Chromatography	Fructose 1-phosphate_TMS_47	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1711.78

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces
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
MMDBp0192590	Fructose-bisphosphate aldolase A	Enzyme	P04075	Homo sapiens
MMDBp0192591	Fructose-bisphosphate aldolase C	Enzyme	P09972	Homo sapiens
MMDBp0192592	Fructose-bisphosphate aldolase B	Enzyme	P05062	Homo sapiens
MMDBp0192803	Ketohexokinase	Enzyme	P50053	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Phosphotransferase system (PTS)		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Escherichia coli CFT073 Bacillus subtilis Klebsiella pneumoniae Bacillus cereus Bacillus amyloliquefaciens Streptococcus pneumoniae Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Staphylococcus aureus Clostridium perfringens Clostridium sporogenes Streptococcus pneumoniae TIGR4 Anaerococcus prevotii DSM 20548 Anaerostipes caccae Anaerostipes hadrus Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Collinsella aerofaciens Enterococcus faecalis Enterococcus hirae ATCC 9790 Lactobacillus paracasei Megamonas hypermegale Ruminococcus torques L2-14 lactobacillus crispatus lactobacillus jensenii Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Fusobacterium ulcerans Streptococcus gordonii Streptococcus oralis Streptococcus sanguinis Streptococcus mutans Streptococcus agalactiae Streptococcus pyogenes Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Lancefieldella rimae Bacillus licheniformis Priestia megaterium Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Lactobacillus delbrueckii Lactobacillus plantarum Lactobacillus gasseri Lactobacillus sakei Lactobacillus amylovorus Lactobacillus salivarius Listeria monocytogenes Staphylococcus lugdunensis Enterococcus avium Lactobacillus johnsonii Enterococcus casseliflavus Eubacterium ventriosum Enterococcus cecorum Streptococcus cristatus Mitsuokella multacida Brachyspira pilosicoli Enterococcus durans Holdemania filiformis Streptococcus peroris Enterobacter cancerogenus Streptococcus constellatus Bacillus clausii Peptacetobacter hiranonis Citrobacter youngae Leuconostoc kimchii Collinsella stercoris Lactobacillus iners Streptococcus lutetiensis Escherichia albertii Lactobacillus ultunensis Streptococcus pseudopneumoniae Streptococcus gallolyticus Clostridium beijerinckii Enterococcus faecium Enterococcus hirae Gemella sanguinis Klebsiella variicola Lactobacillus rhamnosus Lactobacillus ruminis Lactococcus lactis Streptococcus parasanguinis Streptococcus suis Gemella haemolysans Granulicatella adiacens Aeromonas hydrophila subsp. hydrophila ATCC 7966 Atopobium parvulum DSM 20469 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium perfringens SM101 Cronobacter sakazakii ATCC BAA-894 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Lactobacillus plantarum WCFS1 Lactobacillus johnsonii NCC 533 Lactobacillus salivarius UCC118 Lactobacillus casei ATCC 334 Lactobacillus amylovorus GRL 1112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris MG1363 Escherichia coli 042 Edwardsiella tarda FL6-60 Pediococcus pentosaceus ATCC 25745 Proteus mirabilis HI4320 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus haemolyticus JCSC1435 Staphylococcus aureus subsp. aureus NCTC 8325 Streptococcus agalactiae 2603V/R Streptococcus mutans UA159 Streptococcus agalactiae NEM316 Streptococcus pyogenes MGAS9429 Streptococcus pneumoniae D39 Streptococcus sanguinis SK36 Streptococcus gordonii str. Challis substr. CH1 Streptococcus pneumoniae Hungary19A-6 Streptococcus pyogenes NZ131 Streptococcus uberis 0140J Streptococcus pneumoniae JJA Streptococcus equi subsp. equi 4047 Streptococcus oralis Uo5 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Cetobacterium somerae ATCC BAA-474 Aeromonas caviae Aeromonas media Aeromonas veronii Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Atopobium minutum 10063974 Lancefieldella rimae ATCC 49626 Olsenella profusa F0195 Collinsella intestinalis DSM 13280 Collinsella stercoris DSM 13279 Collinsella tanakaei YIT 12063 Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Exiguobacterium aurantiacum Abiotrophia defectiva Abiotrophia defectiva ATCC 49176 Granulicatella adiacens ATCC 49175 Granulicatella elegans Granulicatella elegans ATCC 700633 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus iners DSM 13335 Lactobacillus ultunensis DSM 16047 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus gastricus PS3 Lactobacillus coryniformis subsp. coryniformis CECT 5711 Pediococcus acidilactici DSM 20284 Pediococcus pentosaceus Oenococcus oeni Lactococcus garvieae Streptococcus constellatus subsp. pharyngis SK1060 = CCUG 46377 Streptococcus australis ATCC 700641 Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Streptococcus equinus ATCC 9812 Streptococcus infantis ATCC 700779 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Eubacterium ventriosum ATCC 27560 Anaerostipes caccae DSM 14662 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] innocuum 2959 Holdemania filiformis DSM 12042 Kandleria vitulina Kandleria vitulina DSM 20405 Solobacterium moorei F0204 Mitsuokella multacida DSM 20544 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Clostridioides difficile 630 Clostridioides difficile NAP08 Streptococcus mitis B6 Streptococcus parasanguinis ATCC 15912 Streptococcus parasanguinis FW213 Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Exiguobacterium sp. AT1b Geobacillus kaustophilus HTA426 Lactobacillus johnsonii FI9785 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Oceanobacillus iheyensis HTE831 Oenococcus oeni PSU-1 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptococcus gallolyticus UCN34 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Aeromonas salmonicida subsp. salmonicida A449 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Brachyspira hyodysenteriae WA1 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Klebsiella pneumoniae 342 Pantoea ananatis LMG 20103 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Streptobacillus moniliformis DSM 12112 Tolumonas auensis DSM 9187 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479

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	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	382	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	181	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	124	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	124	Human feces; Human appendix biopsy; Human ; Human saliva; Human supragingival plaque; Human subgingival plaque; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	2	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction

Exposure Sources

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
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001076

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022410

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

139419

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Alvarez E, Roncero I, Chowen JA, Vazquez P, Blazquez E: Evidence that glucokinase regulatory protein is expressed and interacts with glucokinase in rat brain. J Neurochem. 2002 Jan;80(1):45-53. doi: 10.1046/j.0022-3042.2001.00677.x. [PubMed:11796742 ]
Watford M: Small amounts of dietary fructose dramatically increase hepatic glucose uptake through a novel mechanism of glucokinase activation. Nutr Rev. 2002 Aug;60(8):253-7. doi: 10.1301/002966402320289377. [PubMed:12199300 ]
Malaisse WJ: [Metabolic interactions between glucose and fructose]. Bull Mem Acad R Med Belg. 2002;157(7-9):349-52; discussion 352-3. [PubMed:12647375 ]
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 1-phosphate (MMDBc0029545)

MOL for #<Metabolite:0x00007f9aa4284b50>

3D MOL for #<Metabolite:0x00007f9aa4284b50>

3D SDF for #<Metabolite:0x00007f9aa4284b50>

3D-SDF for #<Metabolite:0x00007f9aa4284b50>

PDB for #<Metabolite:0x00007f9aa4284b50>

3D PDB for #<Metabolite:0x00007f9aa4284b50>

SMILES for #<Metabolite:0x00007f9aa4284b50>

INCHI for #<Metabolite:0x00007f9aa4284b50>

Structure for #<Metabolite:0x00007f9aa4284b50>

3D Structure for #<Metabolite:0x00007f9aa4284b50>