MiMeDB: Showing metabocard for beta-D-Fructose 2-phosphate (MMDBc0030448)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:08:42 UTC

Update Date

2022-08-31 17:51:21 UTC

Metabolite ID

MMDBc0030448

Metabolite Identification

Common Name

beta-D-Fructose 2-phosphate

Description

Beta-D-Fructose 2-phosphate is involved in the fructose eand mannose system. beta-D-Fructose 2-phosphate is produced from beta-D-Fructose 2,6-bisphosphate by the enzyme fructose-2,6-bisphosphate 6-phosphatase [EC 3.1.3.54].

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>
MMDBc0030448

> <DATABASE_NAME>
MIME

> <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

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

Molecular Formula

C₆H₁₃O₉P

Average Mass

260.1358

Monoisotopic Mass

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

19046-69-6

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 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9110000000-7ca772d08ec8dbad4546	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-0gb9-1910100000-560d8b4a6b9fed0746bd	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01ot-9320000000-3273948ba0433a443187	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-40d136054d5d0d8b22ff	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-009b-9100000000-d6ef0bb32ad7bdbe1069	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4j-9170000000-e3df07bcd35077372295	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9230000000-ebb2e8b2675357e41e81	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-7c59f838aa712f874f34	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-4090000000-93ae68b8c5180dd9006f	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-ef724d5177083af378f0	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-9fb2de7e82372b8b1284	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dj-0950000000-0f2af4d50935260c8249	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03ea-3920000000-8df04f7ec361d949d67b	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00dj-9600000000-ca86cbbf955b55d79884	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0196656	14 kDa phosphohistidine phosphatase	Enzyme	Q9NRX4	Homo sapiens
MMDBp0196890	Myotubularin-related protein 1	Unknown	Q13613
MMDBp0196891	Myotubularin-related protein 2	Unknown	Q13614
MMDBp0196892	Myotubularin-related protein 6	Unknown	Q9Y217
MMDBp0196893	Myotubularin-related protein 7	Unknown	Q9Y216

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown
Eukaryota/Fungi	Ascomycota	1

Exposure Sources

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0006800

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

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for beta-D-Fructose 2-phosphate (MMDBc0030448)

MOL for #<Metabolite:0x00007fdb40d21b30>

3D MOL for #<Metabolite:0x00007fdb40d21b30>

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3D-SDF for #<Metabolite:0x00007fdb40d21b30>

PDB for #<Metabolite:0x00007fdb40d21b30>

3D PDB for #<Metabolite:0x00007fdb40d21b30>

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Structure for #<Metabolite:0x00007fdb40d21b30>

3D Structure for #<Metabolite:0x00007fdb40d21b30>