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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-05-17 01:20:43 UTC

Update Date

2022-03-07 03:17:44 UTC

HMDB ID

HMDB0060436

Secondary Accession Numbers

HMDB60436

Metabolite Identification

Common Name

Aminofructose 6-phosphate

Description

Aminofructose 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. Aminofructose 6-phosphate is a very strong basic compound (based on its pKa). Aminofructose 6-phosphate exists in all living organisms, ranging from bacteria to humans. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Structure

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

HMDB0060436
     RDKit          3D
Aminofructose 6-phosphate
 30 30  0  0  0  0  0  0  0  0999 V2000
   -2.5210   -1.7335    0.3724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.5759    0.6241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2121   -0.8794    0.3576 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4121   -1.4554    1.4479 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2894    0.5064    0.0437 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4745    0.4949   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609    1.1536   -0.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614    0.2130   -0.3534 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.4309   -0.0277   -1.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    1.0970    0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672   -1.2684    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341    1.2120   -0.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064    0.5020   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206   -0.1590   -1.6107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324    1.4107   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1713    0.6345    0.1457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881   -2.5963    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185   -1.7348   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173   -0.1554    1.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -1.4876   -0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -0.7414    2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6175    0.9658    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6914   -0.5553   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    0.9934   -1.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    1.3569    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3787   -1.9185    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508    0.1550   -2.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197    2.1391   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7464    1.9372    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3175    0.5170    1.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13  2  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  6
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 15 28  1  0
 15 29  1  0
 16 30  1  0
M  END

  Mrv0541 05161318202D          

 16 16  0  0  0  0            999 V2000
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    1.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198    1.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -2.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025   -0.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -1.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351   -1.4039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  1  1  0  0  0
  8  2  1  0  0  0  0
  4  9  1  6  0  0  0
 10  6  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0060436

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC1(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H14NO8P/c7-5-4(9)3(1-14-16(11,12)13)15-6(5,10)2-8/h3-5,8-10H,1-2,7H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1

> <INCHI_KEY>
KYORZMSTOXVELJ-VRPWFDPXSA-N

> <FORMULA>
C6H14NO8P

> <MOLECULAR_WEIGHT>
259.151

> <EXACT_MASS>
259.045702941

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
21.280881058005917

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.65

> <JCHEM_LOGP>
-4.0011290751767055

> <ALOGPS_LOGS>
-0.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.245457750347152

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2245164581783152

> <JCHEM_PKA_STRONGEST_BASIC>
8.202067340638257

> <JCHEM_POLAR_SURFACE_AREA>
162.7

> <JCHEM_REFRACTIVITY>
48.8912

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.94e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminofructose 6-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060436
     RDKit          3D
Aminofructose 6-phosphate
 30 30  0  0  0  0  0  0  0  0999 V2000
   -2.5210   -1.7335    0.3724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.5759    0.6241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2121   -0.8794    0.3576 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4121   -1.4554    1.4479 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2894    0.5064    0.0437 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4745    0.4949   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609    1.1536   -0.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614    0.2130   -0.3534 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.4309   -0.0277   -1.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    1.0970    0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672   -1.2684    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341    1.2120   -0.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064    0.5020   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206   -0.1590   -1.6107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324    1.4107   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1713    0.6345    0.1457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881   -2.5963    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185   -1.7348   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173   -0.1554    1.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -1.4876   -0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -0.7414    2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6175    0.9658    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6914   -0.5553   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    0.9934   -1.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    1.3569    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3787   -1.9185    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508    0.1550   -2.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197    2.1391   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7464    1.9372    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3175    0.5170    1.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13  2  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  6
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 15 28  1  0
 15 29  1  0
 16 30  1  0
M  END

HEADER    PROTEIN                                 16-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAY-13         0                                  
HETATM    1  C   UNK     0      -0.615  -1.536   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.029   3.224   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       3.770   1.651   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0      -1.477   2.904   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       2.735  -1.536   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       2.090   3.224   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -3.957  -3.866   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -4.298  -1.715   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -1.806  -3.526   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.147  -1.375   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -0.186   1.175   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0      -3.052  -2.621   0.000  0.00  0.00           P+0
CONECT    1    3   14                                                       
CONECT    2    6    8                                                       
CONECT    3    1    4   15                                                  
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    2    5   10   15                                             
CONECT    7    5                                                            
CONECT    8    2                                                            
CONECT    9    4                                                            
CONECT   10    6                                                            
CONECT   11   16                                                            
CONECT   12   16                                                            
CONECT   13   16                                                            
CONECT   14    1   16                                                       
CONECT   15    3    6                                                       
CONECT   16   11   12   13   14                                             
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0060436
HETATM    1  N1  UNL     1      -2.521  -1.733   0.372  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.683  -0.576   0.624  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.212  -0.879   0.358  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.412  -1.455   1.448  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.289   0.506   0.044  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.475   0.495  -0.897  1.00  0.00           C  
HETATM    7  O2  UNL     1       2.561   1.154  -0.325  1.00  0.00           O  
HETATM    8  P1  UNL     1       3.961   0.213  -0.353  1.00  0.00           P  
HETATM    9  O3  UNL     1       4.431  -0.028  -1.778  1.00  0.00           O  
HETATM   10  O4  UNL     1       5.162   1.097   0.464  1.00  0.00           O  
HETATM   11  O5  UNL     1       3.667  -1.268   0.394  1.00  0.00           O  
HETATM   12  O6  UNL     1      -0.734   1.212  -0.547  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.906   0.502  -0.425  1.00  0.00           C  
HETATM   14  O7  UNL     1      -2.221  -0.159  -1.611  1.00  0.00           O  
HETATM   15  C6  UNL     1      -3.032   1.411  -0.013  1.00  0.00           C  
HETATM   16  O8  UNL     1      -4.171   0.635   0.146  1.00  0.00           O  
HETATM   17  H1  UNL     1      -1.988  -2.596   0.586  1.00  0.00           H  
HETATM   18  H2  UNL     1      -2.819  -1.735  -0.626  1.00  0.00           H  
HETATM   19  H3  UNL     1      -1.817  -0.155   1.633  1.00  0.00           H  
HETATM   20  H4  UNL     1      -0.117  -1.488  -0.555  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.520  -0.741   2.134  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.617   0.966   1.010  1.00  0.00           H  
HETATM   23  H7  UNL     1       1.691  -0.555  -1.146  1.00  0.00           H  
HETATM   24  H8  UNL     1       1.217   0.993  -1.865  1.00  0.00           H  
HETATM   25  H9  UNL     1       4.773   1.357   1.349  1.00  0.00           H  
HETATM   26  H10 UNL     1       4.379  -1.918   0.130  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.651   0.155  -2.363  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.220   2.139  -0.824  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.746   1.937   0.912  1.00  0.00           H  
HETATM   30  H14 UNL     1      -4.317   0.517   1.119  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3   13   19
CONECT    3    4    5   20
CONECT    4   21
CONECT    5    6   12   22
CONECT    6    7   23   24
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   25
CONECT   11   26
CONECT   12   13
CONECT   13   14   15
CONECT   14   27
CONECT   15   16   28   29
CONECT   16   30
END

HMDB0060436
     RDKit          3D
Aminofructose 6-phosphate
 30 30  0  0  0  0  0  0  0  0999 V2000
   -2.5210   -1.7335    0.3724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.5759    0.6241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2121   -0.8794    0.3576 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4121   -1.4554    1.4479 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2894    0.5064    0.0437 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4745    0.4949   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609    1.1536   -0.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614    0.2130   -0.3534 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.4309   -0.0277   -1.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    1.0970    0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672   -1.2684    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341    1.2120   -0.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064    0.5020   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206   -0.1590   -1.6107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324    1.4107   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1713    0.6345    0.1457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881   -2.5963    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185   -1.7348   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173   -0.1554    1.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -1.4876   -0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -0.7414    2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6175    0.9658    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6914   -0.5553   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    0.9934   -1.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    1.3569    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3787   -1.9185    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508    0.1550   -2.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197    2.1391   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7464    1.9372    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3175    0.5170    1.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13  2  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  6
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 15 28  1  0
 15 29  1  0
 16 30  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Amino-D-fructose 6-phosphate	Kegg
Amino-D-fructose 6-phosphoric acid	Generator
Aminofructose 6-phosphoric acid	Generator
{[(2R,3S,4S)-4-amino-3,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonate	Generator

Chemical Formula

C₆H₁₄NO₈P

Average Molecular Weight

259.151

Monoisotopic Molecular Weight

259.045702941

IUPAC Name

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

Traditional Name

aminofructose 6-phosphate

CAS Registry Number

Not Available

SMILES

N[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC1(O)CO

InChI Identifier

InChI=1S/C6H14NO8P/c7-5-4(9)3(1-14-16(11,12)13)15-6(5,10)2-8/h3-5,8-10H,1-2,7H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1

InChI Key

KYORZMSTOXVELJ-VRPWFDPXSA-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
Amino saccharide
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Tetrahydrofuran
1,3-aminoalcohol
Secondary alcohol
Hemiacetal
1,2-aminoalcohol
Organoheterocyclic compound
Oxacycle
Alcohol
Organonitrogen compound
Organic oxide
Primary aliphatic amine
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Amine
Primary alcohol
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

phospho sugar (CHEBI:31203 )

Ontology

Not Available

Exogenous (HMDB: HMDB0060436)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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	29.4 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-4	ChemAxon
logS	-0.94	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	8.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	162.7 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	48.89 m³·mol⁻¹	ChemAxon
Polarizability	21.28 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]+	157.879	31661259
DarkChem	[M-H]-	152.934	31661259
DeepCCS	[M+H]+	151.826	30932474
DeepCCS	[M-H]-	149.429	30932474
DeepCCS	[M-2H]-	182.435	30932474
DeepCCS	[M+Na]+	157.738	30932474
AllCCS	[M+H]+	155.8	32859911
AllCCS	[M+H-H2O]+	152.3	32859911
AllCCS	[M+NH4]+	159.1	32859911
AllCCS	[M+Na]+	160.1	32859911
AllCCS	[M-H]-	147.8	32859911
AllCCS	[M+Na-2H]-	148.1	32859911
AllCCS	[M+HCOO]-	148.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Aminofructose 6-phosphate	N[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC1(O)CO	2779.6	Standard polar	33892256
Aminofructose 6-phosphate	N[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC1(O)CO	2411.8	Standard non polar	33892256
Aminofructose 6-phosphate	N[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC1(O)CO	2298.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Aminofructose 6-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](N)C(O)(CO)O[C@@H]1COP(=O)(O)O	2252.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,1TMS,isomer #2	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N	2277.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,1TMS,isomer #3	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N	2296.3	Semi standard non polar	33892256
Aminofructose 6-phosphate,1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)(CO)[C@@H](N)[C@@H]1O	2317.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,1TMS,isomer #5	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO	2381.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](N)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2264.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N)[C@@H]1O)O[Si](C)(C)C	2313.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #11	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(O)CO	2411.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #12	C[Si](C)(C)N([C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO)[Si](C)(C)C	2405.4	Semi standard non polar	33892256
Aminofructose 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]1N	2258.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](N)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2305.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)OC1(O)CO	2324.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #5	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N	2273.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #6	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N	2332.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #7	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(CO)O[Si](C)(C)C	2349.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #8	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N	2334.3	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO[Si](C)(C)C	2334.2	Semi standard non polar	33892256
Aminofructose 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]1N	2267.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #10	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2346.5	Semi standard non polar	33892256
Aminofructose 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]1N	2328.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #12	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2408.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #13	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2390.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #14	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]1N	2327.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #15	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2390.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #16	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2370.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #17	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO	2398.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	2449.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](N)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2312.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #3	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO)O[Si](C)(C)C	2321.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #4	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]1N	2316.3	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #5	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)OC1(O)CO[Si](C)(C)C	2317.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](N)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2296.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #7	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(O)CO	2370.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O	2357.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TMS,isomer #9	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]1N	2326.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,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]1N	2312.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,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]1N	2233.3	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,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]1N	3255.9	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2386.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2363.7	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2912.1	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #11	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]1N	2337.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #11	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]1N	2242.7	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #11	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]1N	3167.2	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #12	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2392.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #12	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2273.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #12	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2917.8	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #13	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2356.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #13	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2435.0	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #13	C[Si](C)(C)OCC1(O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	3149.2	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #14	C[Si](C)(C)N[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	2400.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #14	C[Si](C)(C)N[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	2307.2	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #14	C[Si](C)(C)N[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	2721.4	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #15	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2398.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #15	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2436.9	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #15	C[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2920.8	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #16	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2401.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #16	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2275.7	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #16	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2735.6	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #17	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2392.3	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #17	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2410.2	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #17	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2910.9	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	2410.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	2417.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	2773.4	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #2	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2311.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #2	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2267.5	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #2	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	3087.6	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](N)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2310.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](N)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2246.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](N)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3071.2	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2360.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2259.1	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2845.3	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2361.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	2401.8	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O	3098.6	Standard polar	33892256
Aminofructose 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]1N	2324.8	Semi standard non polar	33892256
Aminofructose 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]1N	2211.0	Standard non polar	33892256
Aminofructose 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]1N	3146.5	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #7	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2372.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #7	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2233.8	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #7	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2869.0	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #8	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2335.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #8	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	2388.8	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #8	C[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	3082.5	Standard polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO	2360.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO	2253.9	Standard non polar	33892256
Aminofructose 6-phosphate,4TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO	2709.0	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,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]1N	2315.3	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,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]1N	2257.4	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,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]1N	3028.4	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #10	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]1N([Si](C)(C)C)[Si](C)(C)C	2410.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #10	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]1N([Si](C)(C)C)[Si](C)(C)C	2409.7	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #10	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]1N([Si](C)(C)C)[Si](C)(C)C	2788.0	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2420.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2443.2	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2644.4	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #12	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]1N([Si](C)(C)C)[Si](C)(C)C	2427.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #12	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]1N([Si](C)(C)C)[Si](C)(C)C	2404.5	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #12	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]1N([Si](C)(C)C)[Si](C)(C)C	2642.2	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2383.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2269.2	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #2	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2729.1	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #3	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]1N([Si](C)(C)C)[Si](C)(C)C	2363.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #3	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]1N([Si](C)(C)C)[Si](C)(C)C	2383.2	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #3	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]1N([Si](C)(C)C)[Si](C)(C)C	2885.7	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2394.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2279.6	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #4	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO)O[Si](C)(C)C	2559.6	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2408.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2374.9	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(CO)(O[Si](C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2737.1	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #6	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2414.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #6	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2252.1	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #6	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(O)CO[Si](C)(C)C	2589.1	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #7	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]1N([Si](C)(C)C)[Si](C)(C)C	2393.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #7	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]1N([Si](C)(C)C)[Si](C)(C)C	2347.9	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #7	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]1N([Si](C)(C)C)[Si](C)(C)C	2729.9	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2400.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2358.0	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2627.7	Standard polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2421.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2296.3	Standard non polar	33892256
Aminofructose 6-phosphate,5TMS,isomer #9	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2635.2	Standard polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2415.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2303.8	Standard non polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #1	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1(CO[Si](C)(C)C)O[Si](C)(C)C	2514.0	Standard polar	33892256
Aminofructose 6-phosphate,6TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2435.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,6TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2371.4	Standard non polar	33892256
Aminofructose 6-phosphate,6TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2626.3	Standard polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[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	2448.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[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	2381.4	Standard non polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[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	2506.8	Standard polar	33892256
Aminofructose 6-phosphate,6TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2423.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,6TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2359.4	Standard non polar	33892256
Aminofructose 6-phosphate,6TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2507.0	Standard polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #5	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]1N([Si](C)(C)C)[Si](C)(C)C	2439.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #5	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]1N([Si](C)(C)C)[Si](C)(C)C	2417.7	Standard non polar	33892256
Aminofructose 6-phosphate,6TMS,isomer #5	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]1N([Si](C)(C)C)[Si](C)(C)C	2561.2	Standard polar	33892256
Aminofructose 6-phosphate,7TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2479.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,7TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2412.9	Standard non polar	33892256
Aminofructose 6-phosphate,7TMS,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]1N([Si](C)(C)C)[Si](C)(C)C	2485.7	Standard polar	33892256
Aminofructose 6-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)C(O)(CO)O[C@@H]1COP(=O)(O)O	2511.7	Semi standard non polar	33892256
Aminofructose 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]1N	2520.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N	2523.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)(CO)[C@@H](N)[C@@H]1O	2552.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO	2612.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	2683.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N)[C@@H]1O)O[Si](C)(C)C(C)(C)C	2747.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(O)CO	2841.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N([C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO)[Si](C)(C)C(C)(C)C	2843.2	Semi standard non polar	33892256
Aminofructose 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]1N	2674.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	2748.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)OC1(O)CO	2757.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #5	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]1N	2669.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #6	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]1N	2775.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(CO)O[Si](C)(C)C(C)(C)C	2764.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #8	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]1N	2760.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(O)CO[Si](C)(C)C(C)(C)C	2750.1	Semi standard non polar	33892256
Aminofructose 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]1N	2863.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2907.0	Semi standard non polar	33892256
Aminofructose 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]1N	2959.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[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	3026.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1(CO)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3010.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #14	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]1N	2940.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(O)CO[Si](C)(C)C(C)(C)C	3005.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2981.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[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	3043.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O	3068.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	2943.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO)O[Si](C)(C)C(C)(C)C	2926.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,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[Si](C)(C)C(C)(C)C)[C@@H]1N	2946.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)OC1(O)CO[Si](C)(C)C(C)(C)C	2914.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)C(O)(CO)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2935.3	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(O)CO	3000.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O	2996.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,3TBDMS,isomer #9	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]1N	2947.8	Semi standard non polar	33892256
Aminofructose 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[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N	3129.2	Semi standard non polar	33892256
Aminofructose 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[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N	2989.2	Standard non polar	33892256
Aminofructose 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[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N	3459.6	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3245.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3064.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)(CO)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3167.9	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #11	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]1N	3137.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #11	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]1N	2968.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #11	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]1N	3407.9	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3185.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2997.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3204.7	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #13	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3173.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #13	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3160.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #13	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3335.3	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[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	3234.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[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	2982.0	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[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	3073.1	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #15	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3251.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #15	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3125.1	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #15	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3182.4	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[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[Si](C)(C)C(C)(C)C	3214.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[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[Si](C)(C)C(C)(C)C	2965.5	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[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[Si](C)(C)C(C)(C)C	3097.7	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #17	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3223.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #17	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3114.7	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #17	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3188.9	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3253.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3084.4	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(O)(CO)[C@@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3100.5	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3091.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3020.9	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3310.6	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)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	3128.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)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	2969.3	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)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	3319.8	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO)O[Si](C)(C)C(C)(C)C	3182.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO)O[Si](C)(C)C(C)(C)C	2978.1	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO)O[Si](C)(C)C(C)(C)C	3138.1	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3199.9	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3107.0	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)O[C@@H]1COP(=O)(O)O	3283.2	Standard polar	33892256
Aminofructose 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]1N	3125.7	Semi standard non polar	33892256
Aminofructose 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]1N	2944.5	Standard non polar	33892256
Aminofructose 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]1N	3401.4	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(O)CO[Si](C)(C)C(C)(C)C	3191.8	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(O)CO[Si](C)(C)C(C)(C)C	2967.2	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(O)CO[Si](C)(C)C(C)(C)C	3165.3	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #8	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3168.5	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #8	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3117.3	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #8	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3285.1	Standard polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(O)CO	3202.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(O)CO	2944.6	Standard non polar	33892256
Aminofructose 6-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(O)CO	3055.5	Standard polar	33892256
Aminofructose 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[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]1N	3328.3	Semi standard non polar	33892256
Aminofructose 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[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]1N	3127.0	Standard non polar	33892256
Aminofructose 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[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]1N	3349.0	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #10	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3424.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #10	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3240.2	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #10	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3142.7	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3448.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3219.7	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3052.9	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #12	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3419.3	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #12	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3196.8	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #12	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3061.5	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3355.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3123.9	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3122.3	Standard polar	33892256
Aminofructose 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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.3	Semi standard non polar	33892256
Aminofructose 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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3233.3	Standard non polar	33892256
Aminofructose 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)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3208.1	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3368.6	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3096.0	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[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	3013.1	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[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	3441.4	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[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	3198.6	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[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	3095.8	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(O)CO[Si](C)(C)C(C)(C)C	3393.7	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(O)CO[Si](C)(C)C(C)(C)C	3079.3	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1(O)CO[Si](C)(C)C(C)(C)C	3037.9	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #7	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3427.2	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #7	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3191.8	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #7	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]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.0	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[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	3448.0	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[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	3158.5	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C(C)(C)C)[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	3029.0	Standard polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3386.1	Semi standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3112.3	Standard non polar	33892256
Aminofructose 6-phosphate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3074.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Aminofructose 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a7j-9210000000-45cc16f6225c7b165038	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aminofructose 6-phosphate GC-MS (3 TMS) - 70eV, Positive	splash10-03ds-9732200000-0a0a40d708b5d7d7224c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aminofructose 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 - Aminofructose 6-phosphate 10V, Positive-QTOF	splash10-03di-1590000000-012e67eeda0f7cbe078f	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 20V, Positive-QTOF	splash10-01ow-9210000000-870b71a50e00f99e7ce3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 40V, Positive-QTOF	splash10-007k-9500000000-1300abc5db5939d1da4e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 10V, Negative-QTOF	splash10-0a6r-7290000000-bbbbf5d7f83062099ed4	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-5cc30dcb487e86c7a5aa	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-4ca527d83985b3e8e427	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 10V, Positive-QTOF	splash10-03dl-0190000000-e3819908dbcdd8d9d11b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 20V, Positive-QTOF	splash10-01ox-0900000000-1a8080b21eb5b316d0aa	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 40V, Positive-QTOF	splash10-03ed-9100000000-66b1d8406a54b96a2559	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 10V, Negative-QTOF	splash10-0a4i-0090000000-f61a69016b045d53dab7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-36da9b9b2ea8bc252efa	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aminofructose 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C12214

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

443711

PDB ID

Not Available

ChEBI ID

31203

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

Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

Enzyme Details

1. Transketolase-like protein 1

General function:: Involved in catalytic activity
Specific function:: Catalyzes the transfer of a two-carbon ketol group from a ketose donor to an aldose acceptor, via a covalent intermediate with the cofactor thiamine pyrophosphate (By similarity).
Gene Name:: TKTL1
Uniprot ID:: P51854
Molecular weight:: 59302.195

Reactions

Aminofructose 6-phosphate + D-Ribose 5-phosphate → Iminoerythrose 4-phosphate + D-Sedoheptulose 7-phosphate	details

Enzyme Details

2. Transketolase

General function:: Involved in catalytic activity
Specific function:: Catalyzes the transfer of a two-carbon ketol group from a ketose donor to an aldose acceptor, via a covalent intermediate with the cofactor thiamine pyrophosphate.
Gene Name:: TKT
Uniprot ID:: P29401
Molecular weight:: 67876.95

Reactions

Aminofructose 6-phosphate + D-Ribose 5-phosphate → Iminoerythrose 4-phosphate + D-Sedoheptulose 7-phosphate	details

Enzyme Details

3. Transketolase-like protein 2

General function:: Involved in catalytic activity
Specific function:: Plays an essential role in total transketolase activity and cell proliferation in cancer cells; after transfection with anti-TKTL1 siRNA, total transketolase activity dramatically decreases and proliferation was significantly inhibited in cancer cells. Plays a pivotal role in carcinogenesis.
Gene Name:: TKTL2
Uniprot ID:: Q9H0I9
Molecular weight:: 67876.625

Reactions

Aminofructose 6-phosphate + D-Ribose 5-phosphate → Iminoerythrose 4-phosphate + D-Sedoheptulose 7-phosphate	details

Showing metabocard for Aminofructose 6-phosphate (HMDB0060436)

MOL for HMDB0060436 (Aminofructose 6-phosphate)

3D MOL for HMDB0060436 (Aminofructose 6-phosphate)

3D SDF for HMDB0060436 (Aminofructose 6-phosphate)

3D-SDF for HMDB0060436 (Aminofructose 6-phosphate)

PDB for HMDB0060436 (Aminofructose 6-phosphate)

3D PDB for HMDB0060436 (Aminofructose 6-phosphate)

SMILES for HMDB0060436 (Aminofructose 6-phosphate)

INCHI for HMDB0060436 (Aminofructose 6-phosphate)

Structure for HMDB0060436 (Aminofructose 6-phosphate)

3D Structure for HMDB0060436 (Aminofructose 6-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions