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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-08-12 13:10:56 UTC

Update Date

2021-09-14 15:44:44 UTC

HMDB ID

HMDB0006800

Secondary Accession Numbers

HMDB06800

Metabolite Identification

Common Name

Beta-D-Fructose 2-phosphate

Description

Beta-D-Fructose 2-phosphate, also known as b-D-fructofuranose 2-phosphate or 2-O-phosphono-b-D-fructofuranose, belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Beta-D-Fructose 2-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-D-Fructose 2-phosphate exists in all living organisms, ranging from bacteria to humans. The beta-anomer of D-fructofuranose 2-phosphate.

Structure

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

HMDB0006800
     RDKit          3D
Beta-D-Fructose 2-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    1.5425    2.8008    1.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211    1.3838    0.6982 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2487    0.9374    1.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    1.4621   -0.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711    0.4148    1.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -0.4918   -0.0167 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6736   -1.3312   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967   -1.9894    1.1512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    0.1860   -1.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065    0.4623   -1.1835 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5500    1.7845   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540    1.9151   -0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001   -0.6177   -0.3991 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6577   -1.3700   -1.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456   -1.4087    0.1596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9320   -1.8302    1.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    0.7090    2.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2657    1.3818   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.7353   -0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -2.1074   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811   -1.4190    1.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496    0.5067   -2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451    2.6521   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707    1.8744    0.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611    1.9200    0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -0.2238    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -1.7535   -1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942   -2.2964   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -2.8166    1.5343 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
  6  5  1  1
  6  7  1  0
  7  8  1  0
  6  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  6  1  0
  3 17  1  0
  4 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
 10 22  1  6
 11 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

 
  Mrv0541 02231220522D          

 16 16  0  0  1  0            999 V2000
   11.1585   -8.5665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4813   -8.1159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9103   -9.3690    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2208   -9.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5698   -7.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8190   -8.5939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0786   -9.3690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3919  -10.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -9.2723    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.4579   -7.8439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400   -8.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6157  -10.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8954   -9.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750  -10.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -8.4944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5433   -9.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  1  0  0  0
  7 12  1  6  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006800

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
PMTUDJVZIGZBIX-ZXXMMSQZSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
20.892512649556963

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.09

> <JCHEM_LOGP>
-2.881565349333333

> <ALOGPS_LOGS>
-0.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.901860102479728

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8327050924609556

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9814461224932503

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
47.23369999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.44e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fructose-2-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006800
     RDKit          3D
Beta-D-Fructose 2-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    1.5425    2.8008    1.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211    1.3838    0.6982 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2487    0.9374    1.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    1.4621   -0.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711    0.4148    1.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -0.4918   -0.0167 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6736   -1.3312   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967   -1.9894    1.1512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    0.1860   -1.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065    0.4623   -1.1835 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5500    1.7845   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540    1.9151   -0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001   -0.6177   -0.3991 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6577   -1.3700   -1.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456   -1.4087    0.1596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9320   -1.8302    1.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    0.7090    2.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2657    1.3818   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.7353   -0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -2.1074   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811   -1.4190    1.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496    0.5067   -2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451    2.6521   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707    1.8744    0.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611    1.9200    0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -0.2238    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -1.7535   -1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942   -2.2964   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -2.8166    1.5343 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
  6  5  1  1
  6  7  1  0
  7  8  1  0
  6  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  6  1  0
  3 17  1  0
  4 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
 10 22  1  6
 11 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      20.829 -15.991   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      19.565 -15.150   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      20.366 -17.489   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      22.812 -17.308   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      21.597 -14.642   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      18.329 -16.042   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.813 -17.489   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      21.265 -18.739   0.000  0.00  0.00           O+0
HETATM    9  P   UNK     0      24.407 -17.308   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0      23.255 -14.642   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      16.875 -15.578   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      17.949 -18.746   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      25.938 -17.308   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      24.407 -18.674   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      24.407 -15.856   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      15.947 -16.807   0.000  0.00  0.00           O+0
CONECT    1    2    3    4    5                                             
CONECT    2    1    6                                                       
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    1   10                                                       
CONECT    6    2   11    7                                                  
CONECT    7    3   12    6                                                  
CONECT    8    3                                                            
CONECT    9    4   13   14   15                                             
CONECT   10    5                                                            
CONECT   11    6   16                                                       
CONECT   12    7                                                            
CONECT   13    9                                                            
CONECT   14    9                                                            
CONECT   15    9                                                            
CONECT   16   11                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0006800
HETATM    1  O1  UNL     1       1.542   2.801   1.139  1.00  0.00           O  
HETATM    2  P1  UNL     1       1.921   1.384   0.698  1.00  0.00           P  
HETATM    3  O2  UNL     1       3.249   0.937   1.649  1.00  0.00           O  
HETATM    4  O3  UNL     1       2.297   1.462  -0.931  1.00  0.00           O  
HETATM    5  O4  UNL     1       0.571   0.415   1.012  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.437  -0.492  -0.017  1.00  0.00           C  
HETATM    7  C2  UNL     1       1.674  -1.331  -0.085  1.00  0.00           C  
HETATM    8  O5  UNL     1       1.797  -1.989   1.151  1.00  0.00           O  
HETATM    9  O6  UNL     1       0.146   0.186  -1.178  1.00  0.00           O  
HETATM   10  C3  UNL     1      -1.206   0.462  -1.183  1.00  0.00           C  
HETATM   11  C4  UNL     1      -1.550   1.784  -0.562  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.954   1.915  -0.645  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.900  -0.618  -0.399  1.00  0.00           C  
HETATM   14  O8  UNL     1      -2.658  -1.370  -1.301  1.00  0.00           O  
HETATM   15  C6  UNL     1      -0.746  -1.409   0.160  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.932  -1.830   1.452  1.00  0.00           O  
HETATM   17  H1  UNL     1       2.884   0.709   2.548  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.266   1.382  -1.124  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.608  -0.735  -0.197  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.649  -2.107  -0.872  1.00  0.00           H  
HETATM   21  H5  UNL     1       1.381  -1.419   1.845  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.550   0.507  -2.249  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.145   2.652  -1.138  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.271   1.874   0.488  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.361   1.920   0.276  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.547  -0.224   0.398  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.993  -1.753  -1.952  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.594  -2.296  -0.518  1.00  0.00           H  
HETATM   29  H13 UNL     1      -1.014  -2.817   1.534  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    9   15
CONECT    7    8   19   20
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

HMDB0006800
     RDKit          3D
Beta-D-Fructose 2-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
    1.5425    2.8008    1.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211    1.3838    0.6982 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.2487    0.9374    1.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    1.4621   -0.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711    0.4148    1.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -0.4918   -0.0167 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6736   -1.3312   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967   -1.9894    1.1512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    0.1860   -1.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065    0.4623   -1.1835 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5500    1.7845   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540    1.9151   -0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001   -0.6177   -0.3991 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6577   -1.3700   -1.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456   -1.4087    0.1596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9320   -1.8302    1.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    0.7090    2.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2657    1.3818   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.7353   -0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -2.1074   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811   -1.4190    1.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496    0.5067   -2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451    2.6521   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707    1.8744    0.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611    1.9200    0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -0.2238    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -1.7535   -1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942   -2.2964   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -2.8166    1.5343 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
  6  5  1  1
  6  7  1  0
  7  8  1  0
  6  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  6  1  0
  3 17  1  0
  4 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
 10 22  1  6
 11 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  1
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-O-Phosphono-beta-D-fructofuranose	ChEBI
2-Phospho-beta-D-fructofuranose	ChEBI
beta-D-Fructofuranose 2-phosphate	Kegg
2-O-Phosphono-b-D-fructofuranose	Generator
2-O-Phosphono-β-D-fructofuranose	Generator
2-Phospho-b-D-fructofuranose	Generator
2-Phospho-β-D-fructofuranose	Generator
b-D-Fructofuranose 2-phosphate	Generator
b-D-Fructofuranose 2-phosphoric acid	Generator
beta-D-Fructofuranose 2-phosphoric acid	Generator
Β-D-fructofuranose 2-phosphate	Generator
Β-D-fructofuranose 2-phosphoric acid	Generator
b-D-Fructose 2-phosphate	Generator
b-D-Fructose 2-phosphoric acid	Generator
beta-D-Fructose 2-phosphoric acid	Generator
Β-D-fructose 2-phosphate	Generator
Β-D-fructose 2-phosphoric acid	Generator
Fructofuranose 2-phosphate	HMDB
Fructose-2-phosphate	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid

Traditional Name

fructose-2-phosphate

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O

InChI Identifier

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

InChI Key

PMTUDJVZIGZBIX-ZXXMMSQZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-fructofuranose 2-phosphate (CHEBI:12350 )

Ontology

Not Available

Endogenous (HMDB: HMDB0006800)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Fructose and Mannose Degradation (HMDB: HMDB0006800)
Fructose and Mannose Degradation (PathBank: SMP0087296)

Disease pathway

Fructose Intolerance, Hereditary (HMDB: HMDB0006800)
Fructose Intolerance, Hereditary (PathBank: SMP0120657)
Fructosuria (PathBank: SMP0120625)

Role

Not Available

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 Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	MetCCS_train_neg	141.511	30932474
[M-H]-	Not Available	141.511	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000403

Predicted Molecular Properties

Property	Value	Source
Water Solubility	34.4 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.9	ChemAxon
logS	-0.88	ALOGPS
pKa (Strongest Acidic)	0.83	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	20.89 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 Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	157.905	31661259
DarkChem	[M-H]-	147.711	31661259
DeepCCS	[M+H]+	145.617	30932474
DeepCCS	[M-H]-	143.361	30932474
DeepCCS	[M-2H]-	178.253	30932474
DeepCCS	[M+Na]+	152.457	30932474
AllCCS	[M+H]+	155.7	32859911
AllCCS	[M+H-H2O]+	152.2	32859911
AllCCS	[M+NH4]+	159.0	32859911
AllCCS	[M+Na]+	160.0	32859911
AllCCS	[M-H]-	146.2	32859911
AllCCS	[M+Na-2H]-	146.5	32859911
AllCCS	[M+HCOO]-	147.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Beta-D-Fructose 2-phosphate	OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O	3296.0	Standard polar	33892256
Beta-D-Fructose 2-phosphate	OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O	2227.3	Standard non polar	33892256
Beta-D-Fructose 2-phosphate	OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O	2178.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Beta-D-Fructose 2-phosphate,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O)[C@@H]1O	2281.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TMS,isomer #2	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	2284.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)OP(=O)(O)O	2300.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(OP(=O)(O)O)O[C@@H]1CO	2277.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	2257.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O)[C@@H](O)[C@@H]1O	2237.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(OP(=O)(O)O[Si](C)(C)C)O[C@@H]1CO	2262.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)O[Si](C)(C)C	2234.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2253.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2235.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2269.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #5	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2247.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #6	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2242.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #7	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2266.3	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)OP(=O)(O)O	2242.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)OP(=O)(O)O[Si](C)(C)C	2273.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2197.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #10	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2223.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #11	C[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2206.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)OP(=O)(O)O[Si](C)(C)C	2212.7	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2212.3	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1CO	2208.3	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2199.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2219.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2200.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2235.7	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2212.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2204.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #8	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2196.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TMS,isomer #9	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2229.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2175.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #10	C[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2199.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2183.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2187.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2176.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2164.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2187.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2190.7	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2163.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #8	C[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2197.7	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TMS,isomer #9	C[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2200.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2195.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2129.1	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2505.1	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2188.3	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2178.8	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2448.9	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2171.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2165.6	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2440.3	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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	2197.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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	2154.7	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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	2396.5	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #5	C[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2201.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #5	C[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2149.0	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TMS,isomer #5	C[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2386.6	Standard polar	33892256
Beta-D-Fructose 2-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=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	2223.7	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=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	2193.7	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(OP(=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	2362.2	Standard polar	33892256
Beta-D-Fructose 2-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O)[C@@H]1O	2517.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	2506.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)OP(=O)(O)O	2524.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(OP(=O)(O)O)O[C@@H]1CO	2519.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	2489.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O)O)[C@@H](O)[C@@H]1O	2646.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2692.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	2663.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2680.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2661.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2699.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2667.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2659.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2693.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #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(CO)OP(=O)(O)O	2680.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2698.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2836.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2878.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=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	2864.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #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(CO)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2870.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2864.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2861.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2828.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2871.2	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2846.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2885.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2874.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2865.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2842.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2888.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3024.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=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[Si](C)(C)C(C)(C)C	3053.7	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #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(CO)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3053.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3048.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3040.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3036.1	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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	3057.4	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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	3063.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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	3039.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3060.5	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3056.6	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	3219.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	3006.8	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	2956.6	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	3197.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	3018.2	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	2925.9	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	3193.0	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	2999.9	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(OP(=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	2920.1	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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[Si](C)(C)C(C)(C)C	3209.8	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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[Si](C)(C)C(C)(C)C	2991.5	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(OP(=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[Si](C)(C)C(C)(C)C	2880.2	Standard polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3216.9	Semi standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2992.1	Standard non polar	33892256
Beta-D-Fructose 2-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@]1(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2870.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Beta-D-Fructose 2-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9110000000-7ca772d08ec8dbad4546	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Beta-D-Fructose 2-phosphate GC-MS (4 TMS) - 70eV, Positive	splash10-0gb9-1910100000-560d8b4a6b9fed0746bd	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Beta-D-Fructose 2-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 - Beta-D-Fructose 2-phosphate 10V, Positive-QTOF	splash10-01ot-9320000000-3273948ba0433a443187	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 20V, Positive-QTOF	splash10-0002-9000000000-40d136054d5d0d8b22ff	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 40V, Positive-QTOF	splash10-009b-9100000000-d6ef0bb32ad7bdbe1069	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 10V, Negative-QTOF	splash10-0a4j-9170000000-e3df07bcd35077372295	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 20V, Negative-QTOF	splash10-004i-9230000000-ebb2e8b2675357e41e81	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-7c59f838aa712f874f34	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 10V, Negative-QTOF	splash10-0a4i-4090000000-93ae68b8c5180dd9006f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-ef724d5177083af378f0	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-9fb2de7e82372b8b1284	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 10V, Positive-QTOF	splash10-03dj-0950000000-0f2af4d50935260c8249	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 20V, Positive-QTOF	splash10-03ea-3920000000-8df04f7ec361d949d67b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Beta-D-Fructose 2-phosphate 40V, Positive-QTOF	splash10-00dj-9600000000-ca86cbbf955b55d79884	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

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

FDB024086

KNApSAcK ID

Not Available

Chemspider ID

167949

KEGG Compound ID

C03267

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

193537

PDB ID

Not Available

ChEBI ID

12350

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. 14 kDa phosphohistidine phosphatase

General function:: Involved in phosphohistidine phosphatase activity
Specific function:: Exhibits phosphohistidine phosphatase activity.
Gene Name:: PHPT1
Uniprot ID:: Q9NRX4
Molecular weight:: Not Available

Reactions

Beta-D-Fructose 2-phosphate + Water → D-Fructose + Phosphate	details

Enzyme Details

2. Myotubularin-related protein 1

General function:: Not Available
Specific function:: Lipid phosphatase that acts on phosphatidylinositol 3-phosphate and phosphatidylinositol (3,5)-bisphosphate.
Gene Name:: MTMR1
Uniprot ID:: Q13613
Molecular weight:: Not Available

Reactions

Beta-D-Fructose 2-phosphate + Water → D-Fructose + Phosphate	details

Enzyme Details

3. Myotubularin-related protein 2

General function:: Not Available
Specific function:: Phosphatase that acts on lipids with a phosphoinositol headgroup. Has phosphatase activity towards phosphatidylinositol 3-phosphate and phosphatidylinositol 3,5-bisphosphate.
Gene Name:: MTMR2
Uniprot ID:: Q13614
Molecular weight:: Not Available

Reactions

Beta-D-Fructose 2-phosphate + Water → D-Fructose + Phosphate	details

Enzyme Details

4. Myotubularin-related protein 6

General function:: Not Available
Specific function:: Phosphatase that acts on lipids with a phosphoinositol headgroup. Acts as a negative regulator of KCNN4/KCa3.1 channel activity in CD4+ T-cells possibly by decreasing intracellular levels of phosphatidylinositol 3 phosphatase. Negatively regulates proliferation of reactivated CD4+ T-cells.
Gene Name:: MTMR6
Uniprot ID:: Q9Y217
Molecular weight:: Not Available

Reactions

Beta-D-Fructose 2-phosphate + Water → D-Fructose + Phosphate	details

Enzyme Details

5. Myotubularin-related protein 7

General function:: Not Available
Specific function:: Phosphatase that acts on lipids with a phosphoinositol headgroup (Probable).
Gene Name:: MTMR7
Uniprot ID:: Q9Y216
Molecular weight:: Not Available

Reactions

Beta-D-Fructose 2-phosphate + Water → D-Fructose + Phosphate	details

Showing metabocard for Beta-D-Fructose 2-phosphate (HMDB0006800)

MOL for HMDB0006800 (Beta-D-Fructose 2-phosphate)

3D MOL for HMDB0006800 (Beta-D-Fructose 2-phosphate)

3D SDF for HMDB0006800 (Beta-D-Fructose 2-phosphate)

3D-SDF for HMDB0006800 (Beta-D-Fructose 2-phosphate)

PDB for HMDB0006800 (Beta-D-Fructose 2-phosphate)

3D PDB for HMDB0006800 (Beta-D-Fructose 2-phosphate)

SMILES for HMDB0006800 (Beta-D-Fructose 2-phosphate)

INCHI for HMDB0006800 (Beta-D-Fructose 2-phosphate)

Structure for HMDB0006800 (Beta-D-Fructose 2-phosphate)

3D Structure for HMDB0006800 (Beta-D-Fructose 2-phosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions

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