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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-08-13 17:39:38 UTC

Update Date

2021-09-14 15:44:39 UTC

HMDB ID

HMDB0006873

Secondary Accession Numbers

HMDB06873

Metabolite Identification

Common Name

D-Tagatose 6-phosphate

Description

D-Tagatose 6-phosphate belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. The furanose form of D-tagatose 6-phosphate. D-Tagatose 6-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Tagatose 6-phosphate exists in all living organisms, ranging from bacteria to humans.

Structure

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

HMDB0006873
     RDKit          3D
D-Tagatose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.7884   -0.7155    0.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6584    0.7071    0.1126 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9636    1.7215    1.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7239    0.9994   -1.1538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    1.0504   -0.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678   -0.1280   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.0737   -0.5170 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6054    0.7753    0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9147    0.3124    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    0.7055    2.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    0.7206   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    1.0165    0.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998   -1.1865    0.6843 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0687   -1.6952    1.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001   -1.2677   -0.5215 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1424   -2.2740   -0.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965    2.6004    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6663    1.0254   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5766   -0.6025    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6602   -0.8462   -1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3285    0.6578   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    1.6816    2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279   -0.0700   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    1.6163   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2743    1.9953    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -1.6414    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -2.6427    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.4198   -1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218   -3.1696   -0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
 10 22  1  0
 11 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

 
  Mrv0541 02231220542D          
 
 16 16  0  0  1  0            999 V2000
   13.0294   -8.8963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6920   -8.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2794   -9.6839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2456   -8.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3623   -8.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1048   -9.6839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7909  -10.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6323   -9.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7939   -8.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0526   -9.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5895  -10.3503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8068   -9.1840    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.5600   -8.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9852   -9.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8106   -8.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8068  -10.0095    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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  1  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006873

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O

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

> <INCHI_KEY>
BGWGXPAPYGQALX-OEXCPVAWSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
21.04932241998269

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.11

> <JCHEM_LOGP>
-2.881565349333333

> <ALOGPS_LOGS>
-0.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.247455552280457

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.221675286190254

> <JCHEM_PKA_STRONGEST_BASIC>
-3.450967575782875

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
47.23369999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.34e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-tagatose 6-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006873
     RDKit          3D
D-Tagatose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.7884   -0.7155    0.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6584    0.7071    0.1126 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9636    1.7215    1.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7239    0.9994   -1.1538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    1.0504   -0.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678   -0.1280   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.0737   -0.5170 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6054    0.7753    0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9147    0.3124    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    0.7055    2.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    0.7206   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    1.0165    0.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998   -1.1865    0.6843 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0687   -1.6952    1.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001   -1.2677   -0.5215 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1424   -2.2740   -0.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965    2.6004    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6663    1.0254   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5766   -0.6025    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6602   -0.8462   -1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3285    0.6578   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    1.6816    2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279   -0.0700   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    1.6163   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2743    1.9953    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -1.6414    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -2.6427    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.4198   -1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218   -3.1696   -0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
 10 22  1  0
 11 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  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      24.322 -16.606   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      25.558 -15.709   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      24.788 -18.077   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.858 -16.126   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.810 -16.606   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      26.329 -18.077   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      23.876 -19.313   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      21.714 -17.151   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      27.615 -15.530   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      28.098 -16.998   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      27.234 -19.321   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0      20.173 -17.143   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0      29.045 -15.683   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      18.639 -17.143   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      20.180 -15.534   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      20.173 -18.684   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6    7                                                  
CONECT    4    1    8                                                       
CONECT    5    2    9   10    6                                             
CONECT    6    3   11    5                                                  
CONECT    7    3                                                            
CONECT    8    4   12                                                       
CONECT    9    5   13                                                       
CONECT   10    5                                                            
CONECT   11    6                                                            
CONECT   12    8   14   15   16                                             
CONECT   13    9                                                            
CONECT   14   12                                                            
CONECT   15   12                                                            
CONECT   16   12                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0006873
HETATM    1  O1  UNL     1      -3.788  -0.716   0.582  1.00  0.00           O  
HETATM    2  P1  UNL     1      -3.658   0.707   0.113  1.00  0.00           P  
HETATM    3  O2  UNL     1      -3.964   1.722   1.438  1.00  0.00           O  
HETATM    4  O3  UNL     1      -4.724   0.999  -1.154  1.00  0.00           O  
HETATM    5  O4  UNL     1      -2.084   1.050  -0.433  1.00  0.00           O  
HETATM    6  C1  UNL     1      -1.368  -0.128  -0.365  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.125   0.074  -0.517  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.605   0.775   0.590  1.00  0.00           O  
HETATM    9  C3  UNL     1       1.915   0.312   0.787  1.00  0.00           C  
HETATM   10  O6  UNL     1       2.378   0.706   2.027  1.00  0.00           O  
HETATM   11  C4  UNL     1       2.840   0.721  -0.325  1.00  0.00           C  
HETATM   12  O7  UNL     1       4.075   1.017   0.251  1.00  0.00           O  
HETATM   13  C5  UNL     1       1.700  -1.187   0.684  1.00  0.00           C  
HETATM   14  O8  UNL     1       1.069  -1.695   1.814  1.00  0.00           O  
HETATM   15  C6  UNL     1       0.800  -1.268  -0.521  1.00  0.00           C  
HETATM   16  O9  UNL     1      -0.142  -2.274  -0.436  1.00  0.00           O  
HETATM   17  H1  UNL     1      -4.296   2.600   1.105  1.00  0.00           H  
HETATM   18  H2  UNL     1      -5.666   1.025  -0.873  1.00  0.00           H  
HETATM   19  H3  UNL     1      -1.577  -0.603   0.621  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.660  -0.846  -1.172  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.329   0.658  -1.437  1.00  0.00           H  
HETATM   22  H6  UNL     1       2.272   1.682   2.084  1.00  0.00           H  
HETATM   23  H7  UNL     1       2.928  -0.070  -1.087  1.00  0.00           H  
HETATM   24  H8  UNL     1       2.414   1.616  -0.826  1.00  0.00           H  
HETATM   25  H9  UNL     1       4.274   1.995   0.238  1.00  0.00           H  
HETATM   26  H10 UNL     1       2.690  -1.641   0.531  1.00  0.00           H  
HETATM   27  H11 UNL     1       0.876  -2.643   1.624  1.00  0.00           H  
HETATM   28  H12 UNL     1       1.417  -1.420  -1.425  1.00  0.00           H  
HETATM   29  H13 UNL     1       0.222  -3.170  -0.293  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   17
CONECT    4   18
CONECT    5    6
CONECT    6    7   19   20
CONECT    7    8   15   21
CONECT    8    9
CONECT    9   10   11   13
CONECT   10   22
CONECT   11   12   23   24
CONECT   12   25
CONECT   13   14   15   26
CONECT   14   27
CONECT   15   16   28
CONECT   16   29
END

HMDB0006873
     RDKit          3D
D-Tagatose 6-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.7884   -0.7155    0.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6584    0.7071    0.1126 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9636    1.7215    1.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7239    0.9994   -1.1538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    1.0504   -0.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678   -0.1280   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.0737   -0.5170 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6054    0.7753    0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9147    0.3124    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    0.7055    2.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    0.7206   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    1.0165    0.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998   -1.1865    0.6843 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0687   -1.6952    1.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001   -1.2677   -0.5215 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1424   -2.2740   -0.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965    2.6004    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6663    1.0254   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5766   -0.6025    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6602   -0.8462   -1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3285    0.6578   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    1.6816    2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279   -0.0700   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    1.6163   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2743    1.9953    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -1.6414    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -2.6427    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -1.4198   -1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218   -3.1696   -0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  7  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  6
 10 22  1  0
 11 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  6
 14 27  1  0
 15 28  1  6
 16 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
D-Tagatose 6-phosphoric acid	Generator
6-O-Phosphono-D-tagatofuranose	HMDB
D-Tagatofuranose 6-(dihydrogen phosphate)	HMDB
D-Tagatofuranose 6-phosphoric acid	HMDB
D-Tagatose 6-phosphate	ChEBI

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

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

Traditional Name

D-tagatose 6-phosphate

CAS Registry Number

Not Available

SMILES

OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O

InChI Identifier

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

InChI Key

BGWGXPAPYGQALX-OEXCPVAWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-tagatose 6-phosphate (CHEBI:4251 )

Ontology

Not Available

Endogenous (HMDB: HMDB0006873)

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

Not Available

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

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	33.4 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.9	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	47.23 m³·mol⁻¹	ChemAxon
Polarizability	21.05 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]+	156.092	31661259
DarkChem	[M-H]-	153.512	31661259
DeepCCS	[M+H]+	148.398	30932474
DeepCCS	[M-H]-	146.006	30932474
DeepCCS	[M-2H]-	180.272	30932474
DeepCCS	[M+Na]+	155.241	30932474
AllCCS	[M+H]+	155.9	32859911
AllCCS	[M+H-H2O]+	152.3	32859911
AllCCS	[M+NH4]+	159.2	32859911
AllCCS	[M+Na]+	160.1	32859911
AllCCS	[M-H]-	147.2	32859911
AllCCS	[M+Na-2H]-	147.5	32859911
AllCCS	[M+HCOO]-	148.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Tagatose 6-phosphate	OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O	3124.5	Standard polar	33892256
D-Tagatose 6-phosphate	OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O	2128.9	Standard non polar	33892256
D-Tagatose 6-phosphate	OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O	2224.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Tagatose 6-phosphate,1TMS,isomer #1	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	2230.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TMS,isomer #2	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	2229.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)(CO)O[C@@H]1COP(=O)(O)O	2205.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO	2240.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@H]1O	2263.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	2223.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(O)CO	2288.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](O)[C@H]1O)O[Si](C)(C)C	2255.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #2	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O	2200.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #3	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O[Si](C)(C)C	2202.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #4	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2271.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2213.0	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)OC1(CO)O[Si](C)(C)C	2226.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #7	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2285.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O	2198.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2251.6	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O	2198.7	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2278.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #11	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2264.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2247.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2231.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO	2280.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #2	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O[Si](C)(C)C	2206.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #3	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2259.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #4	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2179.6	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #5	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2237.6	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #6	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	2246.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #7	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2233.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2217.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2258.7	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2195.0	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2275.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2259.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #2	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2251.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #3	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	2266.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #4	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O	2262.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #5	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2253.7	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #6	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2263.0	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #7	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	2270.6	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2267.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2251.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2260.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2154.4	Standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2543.4	Standard polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2264.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2166.7	Standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	2456.3	Standard polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #3	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	2296.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #3	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	2186.5	Standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #3	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	2462.0	Standard polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2279.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2139.3	Standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2396.5	Standard polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2283.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2164.1	Standard non polar	33892256
D-Tagatose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2409.4	Standard polar	33892256
D-Tagatose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2288.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2200.0	Standard non polar	33892256
D-Tagatose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2373.9	Standard polar	33892256
D-Tagatose 6-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	2459.7	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	2470.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(O)(CO)O[C@@H]1COP(=O)(O)O	2457.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO	2487.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@H]1O	2491.0	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	2601.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(O)CO	2710.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2683.6	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2604.6	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2614.0	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2686.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	2625.0	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)OC1(CO)O[Si](C)(C)C(C)(C)C	2638.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2712.2	Semi standard non polar	33892256
D-Tagatose 6-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(O)(CO)O[C@@H]1COP(=O)(O)O	2635.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	2676.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2784.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO)O[Si](C)(C)C(C)(C)C	2895.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2911.8	Semi standard non polar	33892256
D-Tagatose 6-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(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	2891.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2873.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(O)CO	2905.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2789.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2872.1	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2799.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2866.0	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2869.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2868.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	2834.7	Semi standard non polar	33892256
D-Tagatose 6-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	2877.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3011.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(CO)O[Si](C)(C)C(C)(C)C	3109.5	Semi standard non polar	33892256
D-Tagatose 6-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(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3096.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3059.7	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3063.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3083.3	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](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	3067.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](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	3069.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](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	3073.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3086.7	Semi standard non polar	33892256
D-Tagatose 6-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3084.2	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	3264.4	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	3032.3	Standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	2962.3	Standard polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	3260.5	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	3005.1	Standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	2918.9	Standard polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	3269.8	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	3033.7	Standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)O[C@H](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	2924.9	Standard polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](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[Si](C)(C)C(C)(C)C	3272.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](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[Si](C)(C)C(C)(C)C	2989.9	Standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](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[Si](C)(C)C(C)(C)C	2876.9	Standard polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3275.9	Semi standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3001.8	Standard non polar	33892256
D-Tagatose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2875.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-Tagatose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-03dm-9630000000-086a5934be5be6969d4d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Tagatose 6-phosphate GC-MS (4 TMS) - 70eV, Positive	splash10-0540-8097650000-bd7cf45abb555a5c08da	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Tagatose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Tagatose 6-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 - D-Tagatose 6-phosphate 10V, Positive-QTOF	splash10-03di-2980000000-6b021fc643037857d79c	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 20V, Positive-QTOF	splash10-03dj-6950000000-9aeea6f58646b1ddfd2d	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 40V, Positive-QTOF	splash10-00ds-9300000000-163fede30ff57a757356	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 10V, Negative-QTOF	splash10-0a6r-7390000000-3b9471399e651e34edcb	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-107d49541ec3b4b1213f	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-9182363b16cd6b3e720b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 10V, Negative-QTOF	splash10-0a4i-3090000000-7ae40fd439a28bd2393e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 20V, Negative-QTOF	splash10-004i-9010000000-53fac253975be4bb66f7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 10V, Positive-QTOF	splash10-03dj-1790000000-cf4773c8e21b0c55570e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 20V, Positive-QTOF	splash10-0002-9810000000-21980e2a6a612b295b9d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Tagatose 6-phosphate 40V, Positive-QTOF	splash10-000t-9000000000-a08dc200cb22f420d5bc	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)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439396

PDB ID

Not Available

ChEBI ID

4251

Food Biomarker Ontology

Not Available

VMH ID

HC00664

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. 6-phosphofructokinase type C

General function:: Involved in 6-phosphofructokinase activity
Specific function:: Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:: PFKP
Uniprot ID:: Q01813
Molecular weight:: 85595.405

Reactions

D-Tagatose 6-phosphate + Adenosine triphosphate → D-Tagatose 1,6-bisphosphate + ADP	details
Cytidine triphosphate + D-Tagatose 6-phosphate → CDP + D-Tagatose 1,6-bisphosphate	details
Uridine triphosphate + D-Tagatose 6-phosphate → Uridine 5'-diphosphate + D-Tagatose 1,6-bisphosphate	details
Inosine triphosphate + D-Tagatose 6-phosphate → IDP + D-Tagatose 1,6-bisphosphate	details

Enzyme Details

2. 6-phosphofructokinase, liver type

General function:: Involved in 6-phosphofructokinase activity
Specific function:: Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:: PFKL
Uniprot ID:: P17858
Molecular weight:: 85017.825

Reactions

D-Tagatose 6-phosphate + Adenosine triphosphate → D-Tagatose 1,6-bisphosphate + ADP	details
Cytidine triphosphate + D-Tagatose 6-phosphate → CDP + D-Tagatose 1,6-bisphosphate	details
Uridine triphosphate + D-Tagatose 6-phosphate → Uridine 5'-diphosphate + D-Tagatose 1,6-bisphosphate	details
Inosine triphosphate + D-Tagatose 6-phosphate → IDP + D-Tagatose 1,6-bisphosphate	details

Enzyme Details

3. 6-phosphofructokinase, muscle type

General function:: Involved in 6-phosphofructokinase activity
Specific function:: Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:: PFKM
Uniprot ID:: P08237
Molecular weight:: 85181.925

Reactions

D-Tagatose 6-phosphate + Adenosine triphosphate → D-Tagatose 1,6-bisphosphate + ADP	details
Cytidine triphosphate + D-Tagatose 6-phosphate → CDP + D-Tagatose 1,6-bisphosphate	details
Uridine triphosphate + D-Tagatose 6-phosphate → Uridine 5'-diphosphate + D-Tagatose 1,6-bisphosphate	details
Inosine triphosphate + D-Tagatose 6-phosphate → IDP + D-Tagatose 1,6-bisphosphate	details

Showing metabocard for D-Tagatose 6-phosphate (HMDB0006873)

MOL for HMDB0006873 (D-Tagatose 6-phosphate)

3D MOL for HMDB0006873 (D-Tagatose 6-phosphate)

3D SDF for HMDB0006873 (D-Tagatose 6-phosphate)

3D-SDF for HMDB0006873 (D-Tagatose 6-phosphate)

PDB for HMDB0006873 (D-Tagatose 6-phosphate)

3D PDB for HMDB0006873 (D-Tagatose 6-phosphate)

SMILES for HMDB0006873 (D-Tagatose 6-phosphate)

INCHI for HMDB0006873 (D-Tagatose 6-phosphate)

Structure for HMDB0006873 (D-Tagatose 6-phosphate)

3D Structure for HMDB0006873 (D-Tagatose 6-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions