Hmdb loader

Showing metabocard for Fructoseglycine (HMDB0060278)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2013-05-09 21:15:30 UTC
Update Date2022-09-22 18:35:12 UTC
HMDB IDHMDB0060278
Secondary Accession Numbers
  • HMDB60278
Metabolite Identification
Common NameFructoseglycine
DescriptionFructoseglycine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Fructoseglycine is a very strong basic compound (based on its pKa). Fructoseglycine exists in all living organisms, ranging from bacteria to humans.
Structure
Data?1563866038
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0060278 (Fructoseglycine)


  Mrv0541 08091208232D          

 19 18  0  0  0  0            999 V2000
   -0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0033    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2836    2.1434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5743    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
  5 12  1  6  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
  7 15  1  1  0  0  0
  8 16  1  1  0  0  0
  5 17  1  6  0  0  0
  7 18  1  1  0  0  0
  8 19  1  1  0  0  0
M  END
Download

3D MOL for HMDB0060278 (Fructoseglycine)

HMDB0060278
     RDKit          3D
Fructoseglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1111   -0.1526    0.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987    0.7071    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7495    1.9682    0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.3908    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -0.9593    0.2278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -1.4087    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212   -0.7185   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9738    0.1074   -1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.0259   -0.8382 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3969   -2.0014    0.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    0.1469   -0.8902 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4329    1.0367   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.8294    0.3829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2348    1.4651    1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9547   -0.0733    1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -0.7352    0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0252    2.6229    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.4196    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    1.1577    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -1.1596   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -1.1685    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266   -2.5102    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287   -1.5301   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732   -2.8751   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -0.2126   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.9688   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312    1.6143    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    2.3981    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -0.7260    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.5485    2.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119   -0.1243    0.0927 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  6
 12 26  1  0
 13 27  1  6
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  1  0
M  END
Download

3D SDF for HMDB0060278 (Fructoseglycine)


  Mrv0541 08091208232D          

 19 18  0  0  0  0            999 V2000
   -0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0033    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2836    2.1434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5743    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
  5 12  1  6  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
  7 15  1  1  0  0  0
  8 16  1  1  0  0  0
  5 17  1  6  0  0  0
  7 18  1  1  0  0  0
  8 19  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0060278

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO7/c10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h5,7-10,12,15-16H,1-3H2,(H,13,14)/t5-,7-,8-/m1/s1

> <INCHI_KEY>
YGUYJMQMTNJNFS-LPBLVHEISA-N

> <FORMULA>
C8H15NO7

> <MOLECULAR_WEIGHT>
237.2072

> <EXACT_MASS>
237.084851839

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
21.6151557824859

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}acetic acid

> <ALOGPS_LOGP>
-2.95

> <JCHEM_LOGP>
-5.925780184661986

> <ALOGPS_LOGS>
-0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.83513836534801

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3301525530482499

> <JCHEM_PKA_STRONGEST_BASIC>
10.803548913827838

> <JCHEM_POLAR_SURFACE_AREA>
147.32

> <JCHEM_REFRACTIVITY>
50.07849999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.02e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fructose glycine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0060278 (Fructoseglycine)

HMDB0060278
     RDKit          3D
Fructoseglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1111   -0.1526    0.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987    0.7071    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7495    1.9682    0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.3908    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -0.9593    0.2278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -1.4087    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212   -0.7185   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9738    0.1074   -1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.0259   -0.8382 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3969   -2.0014    0.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    0.1469   -0.8902 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4329    1.0367   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.8294    0.3829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2348    1.4651    1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9547   -0.0733    1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -0.7352    0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0252    2.6229    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.4196    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    1.1577    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -1.1596   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -1.1685    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266   -2.5102    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287   -1.5301   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732   -2.8751   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -0.2126   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.9688   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312    1.6143    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    2.3981    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -0.7260    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.5485    2.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119   -0.1243    0.0927 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  6
 12 26  1  0
 13 27  1  6
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  1  0
M  END
Download

PDB for HMDB0060278 (Fructoseglycine)

HEADER    PROTEIN                                 09-AUG-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-AUG-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   17  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   19  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    4    9                                                       
CONECT    2    6    9                                                       
CONECT    3    5   10                                                       
CONECT    4    1    7   11                                                  
CONECT    5    3    8   12   17                                             
CONECT    6    2   13   14                                                  
CONECT    7    4    8   15   18                                             
CONECT    8    5    7   16   19                                             
CONECT    9    1    2                                                       
CONECT   10    3                                                            
CONECT   11    4                                                            
CONECT   12    5                                                            
CONECT   13    6                                                            
CONECT   14    6                                                            
CONECT   15    7                                                            
CONECT   16    8                                                            
CONECT   17    5                                                            
CONECT   18    7                                                            
CONECT   19    8                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END
Download

3D PDB for HMDB0060278 (Fructoseglycine)

COMPND    HMDB0060278
HETATM    1  O1  UNL     1       5.111  -0.153   0.206  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.299   0.707   0.610  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.750   1.968   0.998  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.846   0.391   0.682  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.649  -0.959   0.228  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.277  -1.409   0.269  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.421  -0.719  -0.724  1.00  0.00           C  
HETATM    8  O3  UNL     1       0.974   0.107  -1.437  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.029  -1.026  -0.838  1.00  0.00           C  
HETATM   10  O4  UNL     1      -1.397  -2.001   0.075  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.930   0.147  -0.890  1.00  0.00           C  
HETATM   12  O5  UNL     1      -1.433   1.037  -1.844  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.257   0.829   0.383  1.00  0.00           C  
HETATM   14  O6  UNL     1      -1.235   1.465   1.020  1.00  0.00           O  
HETATM   15  C8  UNL     1      -2.955  -0.073   1.375  1.00  0.00           C  
HETATM   16  O7  UNL     1      -3.999  -0.735   0.752  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.025   2.623   0.292  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.514   0.420   1.756  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.286   1.158   0.133  1.00  0.00           H  
HETATM   20  H4  UNL     1       3.119  -1.160  -0.682  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.909  -1.169   1.311  1.00  0.00           H  
HETATM   22  H6  UNL     1       1.227  -2.510   0.138  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.129  -1.530  -1.849  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.973  -2.875  -0.113  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.909  -0.213  -1.326  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.627   1.969  -1.647  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.031   1.614   0.121  1.00  0.00           H  
HETATM   28  H12 UNL     1      -1.456   2.398   1.339  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.210  -0.726   1.843  1.00  0.00           H  
HETATM   30  H14 UNL     1      -3.424   0.548   2.187  1.00  0.00           H  
HETATM   31  H15 UNL     1      -4.412  -0.124   0.093  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5   18   19
CONECT    5    6   20
CONECT    6    7   21   22
CONECT    7    8    8    9
CONECT    9   10   11   23
CONECT   10   24
CONECT   11   12   13   25
CONECT   12   26
CONECT   13   14   15   27
CONECT   14   28
CONECT   15   16   29   30
CONECT   16   31
END
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SMILES for HMDB0060278 (Fructoseglycine)

[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O
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INCHI for HMDB0060278 (Fructoseglycine)

InChI=1S/C8H15NO7/c10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h5,7-10,12,15-16H,1-3H2,(H,13,14)/t5-,7-,8-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-[(Carboxymethyl)amino]-1-deoxy-D-fructoseChEBI
Fructose glycineChEBI
Fructosyl-glycineChEBI
FructosylglycineHMDB
FructoseglycineChEBI
Chemical FormulaC8H15NO7
Average Molecular Weight237.2072
Monoisotopic Molecular Weight237.084851839
IUPAC Name2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}acetic acid
Traditional Namefructose glycine
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O
InChI Identifier
InChI=1S/C8H15NO7/c10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h5,7-10,12,15-16H,1-3H2,(H,13,14)/t5-,7-,8-/m1/s1
InChI KeyYGUYJMQMTNJNFS-LPBLVHEISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Acyloin
  • Beta-hydroxy ketone
  • Monosaccharide
  • 1,3-aminoalcohol
  • Alpha-aminoketone
  • Alpha-hydroxy ketone
  • Amino acid
  • Ketone
  • Secondary alcohol
  • Polyol
  • Carboxylic acid
  • Secondary amine
  • Monocarboxylic acid or derivatives
  • Secondary aliphatic amine
  • Alcohol
  • Organic oxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Primary alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility102 g/LALOGPS
logP-3ALOGPS
logP-5.9ChemAxon
logS-0.37ALOGPS
pKa (Strongest Acidic)1.33ChemAxon
pKa (Strongest Basic)10.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area147.32 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity50.08 m³·mol⁻¹ChemAxon
Polarizability21.62 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+155.18331661259
DarkChem[M-H]-147.87231661259
DeepCCS[M+H]+152.02830932474
DeepCCS[M-H]-149.67730932474
DeepCCS[M-2H]-183.6530932474
DeepCCS[M+Na]+158.35830932474
AllCCS[M+H]+150.232859911
AllCCS[M+H-H2O]+146.832859911
AllCCS[M+NH4]+153.332859911
AllCCS[M+Na]+154.232859911
AllCCS[M-H]-148.332859911
AllCCS[M+Na-2H]-148.732859911
AllCCS[M+HCOO]-149.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Fructoseglycine[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O3485.4Standard polar33892256
Fructoseglycine[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O1899.8Standard non polar33892256
Fructoseglycine[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O2220.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Fructoseglycine,1TMS,isomer #1C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O2121.0Semi standard non polar33892256
Fructoseglycine,1TMS,isomer #2C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O2144.0Semi standard non polar33892256
Fructoseglycine,1TMS,isomer #3C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@H](O)CO2091.9Semi standard non polar33892256
Fructoseglycine,1TMS,isomer #4C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@H](O)CO2079.5Semi standard non polar33892256
Fructoseglycine,1TMS,isomer #5C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO2185.3Semi standard non polar33892256
Fructoseglycine,1TMS,isomer #6C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@H](O)CO2251.2Semi standard non polar33892256
Fructoseglycine,1TMS,isomer #7C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO2269.4Semi standard non polar33892256
Fructoseglycine,1TMS,isomer #8C[Si](C)(C)N(CC(=O)O)CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO2177.5Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O2167.3Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #10C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C2216.9Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #11C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C2279.1Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #12C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C2291.6Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #13C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C2212.2Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #14C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)CO2115.4Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #15C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO2140.0Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #16C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO2255.4Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #17C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO2270.3Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #18C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O)CO2177.9Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #19C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO2128.2Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #2C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@@H](CO)O[Si](C)(C)C2139.7Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #20C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO2234.6Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #21C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO2272.8Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #22C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O)[C@H](O)CO2182.6Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #23C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO2267.4Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #24C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO2304.3Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #25C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C2253.0Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #26C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO2285.3Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #27C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO2377.7Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #3C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2144.0Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #4C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2181.0Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #5C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2275.4Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #6C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2288.3Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #7C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C2197.6Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #8C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O2140.8Semi standard non polar33892256
Fructoseglycine,2TMS,isomer #9C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O2141.0Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O2172.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #10C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2290.6Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #11C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2224.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #12C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2178.9Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #13C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2255.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #14C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2298.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #15C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2238.4Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #16C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2264.0Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #17C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2314.0Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #18C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2256.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #19C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2338.9Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O2181.7Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #20C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C2380.6Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #21C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O2182.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #22C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C2178.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #23C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C2286.4Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #24C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C2292.5Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #25C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C2226.4Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #26C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C2184.7Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #27C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C2251.5Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #28C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C2300.9Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #29C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C2257.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C2186.4Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #30C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2264.0Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #31C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2315.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #32C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2277.7Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #33C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2336.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #34C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2385.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #35C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2136.7Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #36C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2231.1Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #37C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2272.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #38C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2224.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #39C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO2232.8Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C2290.4Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #40C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO2268.9Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #41C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2230.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #42C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO2321.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #43C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO2351.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #44C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO2183.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #45C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO2269.5Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #46C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C2240.7Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #47C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO2313.9Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #48C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO2345.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #49C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO)[Si](C)(C)C2332.3Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #5C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C2315.1Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #50C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C2384.8Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C2248.2Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #7C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2178.5Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #8C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2174.9Semi standard non polar33892256
Fructoseglycine,3TMS,isomer #9C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2282.0Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O2212.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #10C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2275.0Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #11C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2328.1Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #12C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2287.9Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #13C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2359.2Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #14C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2406.8Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #15C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2220.2Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #16C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2274.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #17C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2315.2Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #18C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2258.1Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #19C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2275.7Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C2206.6Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #20C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2305.5Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #21C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2257.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #22C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2354.6Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #23C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2391.6Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #24C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2246.2Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #25C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2306.5Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #26C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2263.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #27C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2336.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #28C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C2373.2Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #29C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2366.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C2301.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #30C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2395.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #31C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C2219.0Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #32C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C2273.8Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #33C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C2299.8Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #34C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C2263.2Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #35C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2275.2Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #36C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2312.8Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #37C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2264.4Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #38C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2361.5Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #39C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2390.7Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C2306.8Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #40C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2240.1Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #41C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2296.6Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #42C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2290.4Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #43C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2352.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #44C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2379.9Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #45C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2357.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #46C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2400.1Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #47C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2225.9Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #48C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2268.1Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #49C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2259.1Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #5C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C2260.1Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #50C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2334.7Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #51C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO2353.7Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #52C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2333.5Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #53C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2359.5Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #54C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C2327.3Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #55C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C2333.5Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C2217.6Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #7C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C2269.0Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #8C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C2319.4Semi standard non polar33892256
Fructoseglycine,4TMS,isomer #9C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C2274.6Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C2258.3Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #10C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2267.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #11C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2310.3Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #12C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2272.4Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #13C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2344.3Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #14C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2391.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #15C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2366.8Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #16C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2415.8Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #17C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2278.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #18C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2303.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #19C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2271.8Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C2290.2Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #20C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2351.6Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #21C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C2383.7Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #22C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2338.4Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #23C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2387.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #24C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2339.5Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #25C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2381.5Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #26C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2265.2Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #27C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2280.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #28C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2253.4Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #29C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2348.8Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C2327.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #30C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2384.7Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #31C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2344.8Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #32C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2391.2Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #33C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2355.5Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #34C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2389.9Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #35C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2337.8Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #36C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C2359.1Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C2274.3Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #5C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2269.4Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2299.6Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #7C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2273.0Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #8C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2351.3Semi standard non polar33892256
Fructoseglycine,5TMS,isomer #9C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2406.4Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2330.2Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2314.9Standard non polar33892256
Fructoseglycine,6TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2375.9Standard polar33892256
Fructoseglycine,6TMS,isomer #10C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2356.1Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #10C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2324.3Standard non polar33892256
Fructoseglycine,6TMS,isomer #10C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2438.2Standard polar33892256
Fructoseglycine,6TMS,isomer #11C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2382.9Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #11C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2239.1Standard non polar33892256
Fructoseglycine,6TMS,isomer #11C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C2512.3Standard polar33892256
Fructoseglycine,6TMS,isomer #12C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2339.9Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #12C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2326.6Standard non polar33892256
Fructoseglycine,6TMS,isomer #12C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2453.0Standard polar33892256
Fructoseglycine,6TMS,isomer #13C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2361.8Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #13C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2251.7Standard non polar33892256
Fructoseglycine,6TMS,isomer #13C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2528.4Standard polar33892256
Fructoseglycine,6TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2339.9Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2258.5Standard non polar33892256
Fructoseglycine,6TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2425.4Standard polar33892256
Fructoseglycine,6TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2305.5Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2321.6Standard non polar33892256
Fructoseglycine,6TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C2381.9Standard polar33892256
Fructoseglycine,6TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2361.6Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2300.1Standard non polar33892256
Fructoseglycine,6TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2485.9Standard polar33892256
Fructoseglycine,6TMS,isomer #5C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2395.2Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #5C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2211.9Standard non polar33892256
Fructoseglycine,6TMS,isomer #5C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2562.7Standard polar33892256
Fructoseglycine,6TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2344.5Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2339.4Standard non polar33892256
Fructoseglycine,6TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2495.9Standard polar33892256
Fructoseglycine,6TMS,isomer #7C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2390.3Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #7C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2263.5Standard non polar33892256
Fructoseglycine,6TMS,isomer #7C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2582.9Standard polar33892256
Fructoseglycine,6TMS,isomer #8C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2339.5Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #8C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2327.7Standard non polar33892256
Fructoseglycine,6TMS,isomer #8C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2474.7Standard polar33892256
Fructoseglycine,6TMS,isomer #9C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2380.9Semi standard non polar33892256
Fructoseglycine,6TMS,isomer #9C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2252.7Standard non polar33892256
Fructoseglycine,6TMS,isomer #9C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2551.0Standard polar33892256
Fructoseglycine,7TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2393.8Semi standard non polar33892256
Fructoseglycine,7TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2385.4Standard non polar33892256
Fructoseglycine,7TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2425.2Standard polar33892256
Fructoseglycine,7TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2424.6Semi standard non polar33892256
Fructoseglycine,7TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2304.6Standard non polar33892256
Fructoseglycine,7TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2471.7Standard polar33892256
Fructoseglycine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O2372.8Semi standard non polar33892256
Fructoseglycine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O2411.2Semi standard non polar33892256
Fructoseglycine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@H](O)CO2352.7Semi standard non polar33892256
Fructoseglycine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@H](O)CO2351.5Semi standard non polar33892256
Fructoseglycine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO2424.0Semi standard non polar33892256
Fructoseglycine,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@H](O)CO2501.9Semi standard non polar33892256
Fructoseglycine,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO2500.3Semi standard non polar33892256
Fructoseglycine,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CC(=O)O)CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO2472.7Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O2606.2Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C2684.6Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C2734.5Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C2747.0Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C2717.3Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2585.0Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2640.9Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2731.9Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2724.9Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O)CO2676.8Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2631.7Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2606.6Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2716.0Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2715.7Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2685.2Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@H](O)CO2753.9Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO2775.0Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C2739.2Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@H](O)CO2767.3Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO2834.5Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2613.5Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2660.0Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2732.6Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2750.4Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C2686.2Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O2622.2Semi standard non polar33892256
Fructoseglycine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O2610.3Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O2845.5Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2975.3Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2930.4Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2897.7Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2959.5Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2953.9Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2937.5Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C3005.2Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C3009.2Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2955.8Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2987.8Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O2852.1Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C3025.6Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O2853.4Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C2899.5Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C2974.4Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C2975.4Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C2937.6Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C2900.9Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C2954.8Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C2951.2Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C2933.1Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C2891.8Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2977.2Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2994.3Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2967.6Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2980.9Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3024.6Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2877.2Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2929.5Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2920.0Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2915.5Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2982.8Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C2958.7Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2975.4Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C2955.3Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2988.4Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO3008.9Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2950.0Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2943.4Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C2956.0Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2979.8Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO2980.7Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C2984.3Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C2987.1Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C3033.2Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C2921.2Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2846.5Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2886.1Semi standard non polar33892256
Fructoseglycine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2962.6Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O3072.8Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3187.5Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3203.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3175.1Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3206.1Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3233.7Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3089.3Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3149.2Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3160.0Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3164.6Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3191.4Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C3095.6Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3198.2Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3175.7Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3211.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3237.5Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C3181.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C3160.4Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3183.2Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C3224.0Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C3221.8Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3223.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C3166.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3260.4Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C3098.5Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C3152.2Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C3156.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C3171.3Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3211.4Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3202.5Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3190.0Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3223.1Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3242.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C3194.1Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3166.2Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3161.3Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3186.5Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3214.6Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3217.8Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3198.1Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3235.3Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(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](O)CO3143.0Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO3141.0Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C3171.1Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C3162.8Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(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](O)CO3196.9Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO3196.2Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C3213.5Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C3232.4Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C3200.1Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C3198.4Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C3101.0Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C3155.2Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C3159.3Semi standard non polar33892256
Fructoseglycine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C3172.5Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C3296.4Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3355.2Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3360.0Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3382.0Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3425.4Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3422.5Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3399.4Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3432.7Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(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](CO)O[Si](C)(C)C(C)(C)C3345.2Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3355.5Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3378.2Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C3355.5Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(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](CO)O[Si](C)(C)C(C)(C)C3424.5Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C3421.1Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3419.5Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3443.4Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3412.9Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3428.5Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3354.6Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3352.3Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3381.3Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3422.4Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C3370.8Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3417.6Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3425.6Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3448.2Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3397.1Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3416.9Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(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](O)CO)[Si](C)(C)C(C)(C)C3399.1Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C3398.2Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C3393.8Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3358.8Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3401.8Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3375.6Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3422.3Semi standard non polar33892256
Fructoseglycine,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3436.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (Non-derivatized) - 70eV, Positivesplash10-029i-9410000000-5f2a9367a8664bd5d7ba2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (5 TMS) - 70eV, Positivesplash10-08gi-3911770000-b201d32fe5b109bfba042017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_2_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_2_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_9) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_23) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_36) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_37) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_32) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_33) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_35) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_36) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_5_26) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_5_27) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructoseglycine GC-MS ("Fructoseglycine,2TBDMS,#16" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 10V, Positive-QTOFsplash10-007c-4590000000-eac268e66d600591eb4e2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 20V, Positive-QTOFsplash10-03dr-9210000000-33d6cb6aad56d322ab0f2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 40V, Positive-QTOFsplash10-0006-9000000000-6e9531840d644140efa72017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 10V, Negative-QTOFsplash10-007d-5920000000-67e5884f99c38e3c04ef2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 20V, Negative-QTOFsplash10-06xx-9600000000-3c2b8b229c32336063792017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 40V, Negative-QTOFsplash10-0ab9-9100000000-5bb6d0eb19c90f04d0212017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 10V, Positive-QTOFsplash10-0079-1390000000-90b9e2db52c64db5c3ab2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 20V, Positive-QTOFsplash10-0uki-9600000000-5fdb46b770065af8b1322021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 40V, Positive-QTOFsplash10-05fr-9000000000-c92127bd0dff23e597f32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 10V, Negative-QTOFsplash10-00n1-1960000000-c3d6e48a729ac1cbc6d42021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 20V, Negative-QTOFsplash10-056s-6900000000-c438a30ed79ffb0838312021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructoseglycine 40V, Negative-QTOFsplash10-0ab9-9000000000-a9197b0e1182975832e92021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2339006
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3081391
PDB IDNot Available
ChEBI ID24108
Food Biomarker OntologyNot Available
VMH IDCE2847
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]