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enzymes (4) Show 4 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:44:39 UTC

HMDB ID

HMDB0001076

Secondary Accession Numbers

HMDB0062538
HMDB01076
HMDB62538

Metabolite Identification

Common Name

Fructose 1-phosphate

Description

Fructose 1-phosphate, also known as D-fructose-1-p, 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. Metabolism of fructose thus essentially results in intermediates of glycolysis. The final product of glycolysis (pyruvate) may then undergo gluconeogenesis, enter the TCA cycle or be stored as fatty acids. Fructose 1-phosphate exists in all living organisms, ranging from bacteria to humans. Within humans, fructose 1-phosphate participates in a number of enzymatic reactions. In particular, fructose 1-phosphate can be biosynthesized from D-fructose through the action of the enzyme ketohexokinase. In addition, fructose 1-phosphate can be converted into dihydroxyacetone phosphate and glyceraldehyde; which is catalyzed by the enzyme fructose-bisphosphate aldolase a. Because fructokinase has a high Vmax fructose entering cells is quickly phosphorylated to fructose 1-phosphate. In humans, fructose 1-phosphate is involved in fructose intolerance, hereditary. Hypoglycemia results from inhibition of glycogenolysis and gluconeogenesis. It is generated mainly by hepatic fructokinase but is also generated in smaller amounts in the small intestinal mucosa and proximal epithelium of the renal tubule. Aldolase B converts it into glyceraldehyde and dihydroxyacetone phosphate (DHAP). Symptoms of hereditary fructose intolerance are apathy, drowsiness, sweatiness and tremulousness.

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>
HMDB0001076

> <DATABASE_NAME>
hmdb

> <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

View in JSmol View Stereo Labels

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

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

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

Ontology

Disposition

Biological location

Organ

Prostate

Cellular substructure

Cytoplasm

Ingestion

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Fructose and mannose degradation

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Spectral Properties

Experimental Collision Cross Sections

Predictor	Adduct Type	Data Source	CCS Value (Å²)	Reference
DeepCCS	[M-H]-	MetCCS_train_neg	141.859	30932474
AllCCS	[M-H]-	Not Available	141.859	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000384

Predicted Molecular Properties

Property	Value	Source
Water Solubility	33.4 g/L	ALOGPS
logP	10^(-2.1) g/L	ALOGPS
logP	10^(-2.9) g/L	ChemAxon
logS	10^(-0.89) g/L	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

Predicted Spectral Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	157.486	31661259
DarkChem	[M-H]-	147.596	31661259
AllCCS	[M+H]+	155.607	32859911
AllCCS	[M-H]-	147.216	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Fructose 1-phosphate,1TMS,#1	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	2249.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TMS,#2	C[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	2260.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TMS,#3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O)O	2245.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TMS,#4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1CO	2242.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TMS,#5	C[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	2292.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#1	C[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2246.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#2	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2225.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#3	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2217.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#4	C[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2284.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#5	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	2248.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#6	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	2251.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#7	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	2292.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#8	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	2227.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#9	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	2294.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#10	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	2289.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TMS,#11	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	2263.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#1	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	2246.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#2	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	2236.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#3	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	2259.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#4	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	2217.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#5	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	2250.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#6	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	2240.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#7	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	2233.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#8	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	2250.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#9	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	2277.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#10	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	2271.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#11	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	2271.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#12	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	2261.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#13	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	2262.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TMS,#14	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	2270.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#1	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	2226.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#2	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	2271.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#3	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	2258.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#4	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	2258.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#5	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	2256.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#6	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	2272.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#7	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	2266.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#8	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	2286.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#9	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	2284.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#10	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	2279.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TMS,#11	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	2287.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TBDMS,#1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	2477.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TBDMS,#2	CC(C)(C)[Si](C)(C)O[C@]1(COP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	2493.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TBDMS,#3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)COP(=O)(O)O	2489.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TBDMS,#4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1CO	2500.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,1TBDMS,#5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	2511.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2630.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2638.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2616.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2699.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2658.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#6	CC(C)(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(C)(C)C	2661.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#7	CC(C)(C)[Si](C)(C)O[C@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2707.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O)O	2670.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#9	CC(C)(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(C)(C)C	2713.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2712.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,2TBDMS,#11	CC(C)(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(C)(C)C	2694.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2830.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2821.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2885.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2825.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2885.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2876.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2881.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2852.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2895.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#10	CC(C)(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(C)(C)C)O[Si](C)(C)C(C)(C)C	2892.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#11	CC(C)(C)[Si](C)(C)O[C@]1(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2903.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2894.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#13	CC(C)(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(C)(C)C)O[Si](C)(C)C(C)(C)C	2888.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,3TBDMS,#14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2899.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3049.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3081.1	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3077.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3095.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3081.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3092.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@](O)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3077.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@]1(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3095.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3103.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3102.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
Fructose 1-phosphate,4TBDMS,#11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@]1(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3098.9	Semi standard non polar	https://arxiv.org/abs/1905.12712

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Fructose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-9510000000-71d828159b61f8342118	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructose 1-phosphate GC-MS (4 TMS) - 70eV, Positive	splash10-001i-2912320000-08ffe3d23f5fa5d6162c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 10V, Positive-QTOF	splash10-03dm-9470000000-18ac582a370338a3f5f1	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 20V, Positive-QTOF	splash10-01oy-7390000000-1a5a72af8bb734e50eb8	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 40V, Positive-QTOF	splash10-009y-9100000000-4f151f373d7730140f38	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 10V, Negative-QTOF	splash10-0a6r-9270000000-5af91634007091008210	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-5cf3f457b8c6f6270b68	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-4e6feccf18943de8c419	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 10V, Negative-QTOF	splash10-0a4i-1090000000-03030e5df4374fea160c	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 20V, Negative-QTOF	splash10-004j-9140000000-be637d8fd4ff371117c8	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 40V, Negative-QTOF	splash10-004i-9010000000-26f483248da003aafbdb	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 10V, Positive-QTOF	splash10-03di-0190000000-6beaa046be46044471be	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 20V, Positive-QTOF	splash10-01p2-6920000000-7fd7dcf4a4f1479d91b1	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructose 1-phosphate 40V, Positive-QTOF	splash10-052b-9100000000-60f4d9de70c1b7a7e1de	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Prostate

Pathways

Name	SMPDB/PathBank	KEGG
Fructose and mannose metabolism	Not Available
Fructosuria		Not Available
Fructose intolerance, hereditary		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

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

VMH ID

F1P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Hara, Yoshito. Ion exchange separation of fructose 1-phosphate by using borate as the eluant. Journal of Biochemistry (Tokyo, Japan) (1959), 46 571-3.

Material Safety Data Sheet (MSDS)

Not Available

General References

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 ]
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. [PubMed:11796742 ]
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 ]
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. [PubMed:12199300 ]

Enzymes

Enzyme Details

1. Fructose-bisphosphate aldolase A

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein (By similarity).
Gene Name:: ALDOA
Uniprot ID:: P04075
Molecular weight:: 39419.675

Reactions

Fructose 1-phosphate → Dihydroxyacetone phosphate + Glyceraldehyde	details

Enzyme Details

2. Fructose-bisphosphate aldolase C

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: Not Available
Gene Name:: ALDOC
Uniprot ID:: P09972
Molecular weight:: 39455.505

Reactions

Fructose 1-phosphate → Dihydroxyacetone phosphate + Glyceraldehyde	details

Enzyme Details

3. Fructose-bisphosphate aldolase B

General function:: Involved in fructose-bisphosphate aldolase activity
Specific function:: Not Available
Gene Name:: ALDOB
Uniprot ID:: P05062
Molecular weight:: 39472.715

Reactions

Fructose 1-phosphate → Dihydroxyacetone phosphate + Glyceraldehyde	details

Enzyme Details

4. Ketohexokinase

General function:: Carbohydrate transport and metabolism
Specific function:: Not Available
Gene Name:: KHK
Uniprot ID:: P50053
Molecular weight:: 32730.055

Showing metabocard for Fructose 1-phosphate (HMDB0001076)

MOL for HMDB0001076 (Fructose 1-phosphate)

3D MOL for HMDB0001076 (Fructose 1-phosphate)

3D SDF for HMDB0001076 (Fructose 1-phosphate)

3D-SDF for HMDB0001076 (Fructose 1-phosphate)

PDB for HMDB0001076 (Fructose 1-phosphate)

3D PDB for HMDB0001076 (Fructose 1-phosphate)

SMILES for HMDB0001076 (Fructose 1-phosphate)

INCHI for HMDB0001076 (Fructose 1-phosphate)

Structure for HMDB0001076 (Fructose 1-phosphate)

3D Structure for HMDB0001076 (Fructose 1-phosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions