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Showing metabocard for Fructosamine (HMDB0002030)

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enzymes (3) Show 3 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:32 UTC
Update Date2023-02-21 17:16:04 UTC
HMDB IDHMDB0002030
Secondary Accession Numbers
  • HMDB02030
Metabolite Identification
Common NameFructosamine
DescriptionFructosamine is a compound which can be considered as the result of a reaction between fructose and ammonia or an amine (with a molecule of water being released). A fructosamine is also formed when carbonyl group of glucose reacts with an amino group of a protein, as the double bond to oxygen moves from the end carbon atom to the next carbon atom and water is released. Fructosamines formed from blood proteins such as serum albumin are known as Glycated Serum Protein (GSP) or Glycated Albumin, and are used to identify the plasma glucose concentration over time and so assess diabetic control (wikipedia). Glucose molecules are joined to protein molecules to form stable ketoamines, or fructosamines, through glycation, a nonenzymatic mechanism involving a labile Schiff base intermediate and the Amadori rearrangement. The amount of fructosamine in serum is increased in diabetes mellitus owing to the abnormally high concentration of sugar in blood. The concentration of fructosamine in serum thus reflects the degree of glycemic control attained by the diabetic patient and is useful in monitoring the effectiveness of therapy in diabetes over a period of several weeks, in a manner analogous to the determination of glycated hemoglobin. Of the analytical approaches used to measure fructosamine, affinity chromatography with m-aminophenylboronic acid and the nitroblue tetrazolium reduction method appear to be the most practical means for clinical chemists to assay fructosamine quickly, economically, and accurately. Fructosamine values can readily distinguish normal individuals and diabetic patients in good glycemic control from diabetics in poor control. Unlike glycated hemoglobin, which reflects the average blood sugar concentration over the past six to eight weeks, fructosamine reflects the average blood sugar concentration over the past two to three weeks. Thus a clinical advantage is that fructosamine responds more quickly to changes in therapy, thereby allowing for improved glycemic control. Fructosamine is used in conjunction with determinations of blood sugar and (or) of glycated hemoglobin, or by itself, the fructosamine assay can provide clinically useful information for the detection and control of diabetes (PMID: 3319287 ). Fructosamine is found to be associated with 11-beta-hydroxylase deficiency, which is an inborn error of metabolism.
Structure
Data?1676999764
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0002030 (Fructosamine)


  Mrv0541 02231219192D          

 12 12  0  0  1  0            999 V2000
    9.6853   -6.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853   -6.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9709   -5.7198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9709   -7.3698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2564   -6.1323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2564   -6.9573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9709   -8.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5419   -7.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5419   -5.7198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5584   -5.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3834   -5.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2084   -5.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  7  1  1  0  0  0
  6  8  1  1  0  0  0
  5  9  1  6  0  0  0
  3 10  1  6  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0002030 (Fructosamine)

HMDB0002030
     RDKit          3D
Fructosamine
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.6956    0.0941   -1.4528 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    0.0903   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8269    0.1568    0.1365 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6162    0.1459    1.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888    1.2679   -0.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149    1.4983   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365    0.3224    0.4532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1066    0.4874    0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210   -0.9965   -0.1200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1084   -1.3752   -1.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -1.0634   -0.4483 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7463   -2.2469   -0.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835    1.0102   -1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309   -0.0317   -1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380    0.9411    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7523   -0.8276    0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.7664    1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5573    1.8115   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615    2.3664    0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147    0.3310    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949    1.3730   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -1.7707    0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776   -0.8988   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2338   -0.9784   -1.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -2.4734    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  4 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  1
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  6
 12 25  1  0
M  END
Download

3D SDF for HMDB0002030 (Fructosamine)


  Mrv0541 02231219192D          

 12 12  0  0  1  0            999 V2000
    9.6853   -6.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853   -6.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9709   -5.7198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9709   -7.3698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2564   -6.1323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2564   -6.9573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9709   -8.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5419   -7.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5419   -5.7198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5584   -5.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3834   -5.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2084   -5.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  7  1  1  0  0  0
  6  8  1  1  0  0  0
  5  9  1  6  0  0  0
  3 10  1  6  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002030

> <DATABASE_NAME>
hmdb

> <SMILES>
NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1

> <INCHI_KEY>
IXZISFNWUWKBOM-ARQDHWQXSA-N

> <FORMULA>
C6H13NO5

> <MOLECULAR_WEIGHT>
179.1711

> <EXACT_MASS>
179.079372531

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
16.43334832775998

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol

> <ALOGPS_LOGP>
-2.71

> <JCHEM_LOGP>
-2.864881114666667

> <ALOGPS_LOGS>
0.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.674780905499912

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.705619047448298

> <JCHEM_PKA_STRONGEST_BASIC>
8.166097195486996

> <JCHEM_POLAR_SURFACE_AREA>
116.17

> <JCHEM_REFRACTIVITY>
38.018299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.90e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0002030 (Fructosamine)

HMDB0002030
     RDKit          3D
Fructosamine
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.6956    0.0941   -1.4528 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    0.0903   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8269    0.1568    0.1365 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6162    0.1459    1.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888    1.2679   -0.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149    1.4983   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365    0.3224    0.4532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1066    0.4874    0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210   -0.9965   -0.1200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1084   -1.3752   -1.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -1.0634   -0.4483 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7463   -2.2469   -0.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835    1.0102   -1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309   -0.0317   -1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380    0.9411    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7523   -0.8276    0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.7664    1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5573    1.8115   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615    2.3664    0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147    0.3310    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949    1.3730   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -1.7707    0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776   -0.8988   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2338   -0.9784   -1.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -2.4734    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  4 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  1
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  6
 12 25  1  0
M  END
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PDB for HMDB0002030 (Fructosamine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      18.079 -11.447   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      18.079 -12.987   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.746 -10.677   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.746 -13.757   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.412 -11.447   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.412 -12.987   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      16.746 -15.297   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      14.078 -13.757   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      14.078 -10.677   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      15.976  -9.343   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      17.516  -9.343   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      19.056  -9.343   0.000  0.00  0.00           N+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5   10   11                                             
CONECT    4    2    6    7                                                  
CONECT    5    3    6    9                                                  
CONECT    6    4    5    8                                                  
CONECT    7    4                                                            
CONECT    8    6                                                            
CONECT    9    5                                                            
CONECT   10    3                                                            
CONECT   11    3   12                                                       
CONECT   12   11                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0002030 (Fructosamine)

COMPND    HMDB0002030
HETATM    1  N1  UNL     1       2.696   0.094  -1.453  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.325   0.090  -0.062  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.827   0.157   0.137  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.616   0.146   1.532  1.00  0.00           O  
HETATM    5  O2  UNL     1       0.289   1.268  -0.463  1.00  0.00           O  
HETATM    6  C3  UNL     1      -1.015   1.498  -0.124  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.736   0.322   0.453  1.00  0.00           C  
HETATM    8  O3  UNL     1      -3.107   0.487   0.142  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.321  -0.996  -0.120  1.00  0.00           C  
HETATM   10  O4  UNL     1      -2.108  -1.375  -1.217  1.00  0.00           O  
HETATM   11  C6  UNL     1       0.151  -1.063  -0.448  1.00  0.00           C  
HETATM   12  O5  UNL     1       0.746  -2.247  -0.089  1.00  0.00           O  
HETATM   13  H1  UNL     1       2.483   1.010  -1.919  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.731  -0.032  -1.495  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.838   0.941   0.429  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.752  -0.828   0.388  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.232   0.766   1.983  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.557   1.811  -1.065  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.061   2.366   0.546  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.715   0.331   1.583  1.00  0.00           H  
HETATM   21  H9  UNL     1      -3.295   1.373  -0.232  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.503  -1.771   0.663  1.00  0.00           H  
HETATM   23  H11 UNL     1      -2.978  -0.899  -1.193  1.00  0.00           H  
HETATM   24  H12 UNL     1       0.234  -0.978  -1.568  1.00  0.00           H  
HETATM   25  H13 UNL     1       0.475  -2.473   0.848  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3   15   16
CONECT    3    4    5   11
CONECT    4   17
CONECT    5    6
CONECT    6    7   18   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   24
CONECT   12   25
END
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SMILES for HMDB0002030 (Fructosamine)

NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
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INCHI for HMDB0002030 (Fructosamine)

InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-Amino-1-deoxy-D-fructoseHMDB
D-IsoglucosamineHMDB
D IsoglucosamineHMDB
FructosamineMeSH
Chemical FormulaC6H13NO5
Average Molecular Weight179.1711
Monoisotopic Molecular Weight179.079372531
IUPAC Name(2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol
Traditional Name(2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol
CAS Registry Number4429-04-3
SMILES
NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1
InChI KeyIXZISFNWUWKBOM-ARQDHWQXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharides
Alternative Parents
Substituents
  • Monosaccharide
  • Oxane
  • Hemiacetal
  • Secondary alcohol
  • Polyol
  • Oxacycle
  • Organoheterocyclic compound
  • Alcohol
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Primary amine
  • Amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Health effect
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial application
Physical Properties
StateSolid
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 Solubility990 g/LALOGPS
logP-2.7ALOGPS
logP-2.9ChemAxon
logS0.74ALOGPS
pKa (Strongest Acidic)10.71ChemAxon
pKa (Strongest Basic)8.17ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area116.17 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity38.02 m³·mol⁻¹ChemAxon
Polarizability16.43 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+140.71431661259
DarkChem[M-H]-135.33131661259
DeepCCS[M+H]+140.84530932474
DeepCCS[M-H]-138.4630932474
DeepCCS[M-2H]-172.69930932474
DeepCCS[M+Na]+147.07330932474
AllCCS[M+H]+140.232859911
AllCCS[M+H-H2O]+136.032859911
AllCCS[M+NH4]+144.232859911
AllCCS[M+Na]+145.432859911
AllCCS[M-H]-132.032859911
AllCCS[M+Na-2H]-133.032859911
AllCCS[M+HCOO]-134.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
FructosamineNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O2956.6Standard polar33892256
FructosamineNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O2083.6Standard non polar33892256
FructosamineNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O1703.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Fructosamine,1TMS,isomer #1C[Si](C)(C)O[C@]1(CN)OC[C@@H](O)[C@@H](O)[C@@H]1O1748.8Semi standard non polar33892256
Fructosamine,1TMS,isomer #2C[Si](C)(C)O[C@@H]1CO[C@](O)(CN)[C@@H](O)[C@@H]1O1747.8Semi standard non polar33892256
Fructosamine,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN)OC[C@H]1O1748.1Semi standard non polar33892256
Fructosamine,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]1(O)CN1757.7Semi standard non polar33892256
Fructosamine,1TMS,isomer #5C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O1876.8Semi standard non polar33892256
Fructosamine,2TMS,isomer #1C[Si](C)(C)O[C@@H]1CO[C@@](CN)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O1751.7Semi standard non polar33892256
Fructosamine,2TMS,isomer #10C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1825.0Semi standard non polar33892256
Fructosamine,2TMS,isomer #11C[Si](C)(C)N(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)[Si](C)(C)C2005.2Semi standard non polar33892256
Fructosamine,2TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN)(O[Si](C)(C)C)OC[C@H]1O1754.5Semi standard non polar33892256
Fructosamine,2TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@@]1(CN)O[Si](C)(C)C1749.4Semi standard non polar33892256
Fructosamine,2TMS,isomer #4C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O1810.8Semi standard non polar33892256
Fructosamine,2TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)CO[C@]1(O)CN1728.4Semi standard non polar33892256
Fructosamine,2TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN)OC[C@H]1O[Si](C)(C)C1716.7Semi standard non polar33892256
Fructosamine,2TMS,isomer #7C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1815.0Semi standard non polar33892256
Fructosamine,2TMS,isomer #8C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[C@]1(O)CN1735.6Semi standard non polar33892256
Fructosamine,2TMS,isomer #9C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1822.5Semi standard non polar33892256
Fructosamine,3TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)CO[C@@]1(CN)O[Si](C)(C)C1786.2Semi standard non polar33892256
Fructosamine,3TMS,isomer #10C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1789.9Semi standard non polar33892256
Fructosamine,3TMS,isomer #11C[Si](C)(C)O[C@@H]1CO[C@](O)(CN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O1983.3Semi standard non polar33892256
Fructosamine,3TMS,isomer #12C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1824.1Semi standard non polar33892256
Fructosamine,3TMS,isomer #13C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN([Si](C)(C)C)[Si](C)(C)C)OC[C@H]1O1973.8Semi standard non polar33892256
Fructosamine,3TMS,isomer #14C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]1(O)CN([Si](C)(C)C)[Si](C)(C)C1987.7Semi standard non polar33892256
Fructosamine,3TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN)(O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C1781.2Semi standard non polar33892256
Fructosamine,3TMS,isomer #3C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1813.7Semi standard non polar33892256
Fructosamine,3TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[C@@]1(CN)O[Si](C)(C)C1800.8Semi standard non polar33892256
Fructosamine,3TMS,isomer #5C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1836.6Semi standard non polar33892256
Fructosamine,3TMS,isomer #6C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1801.8Semi standard non polar33892256
Fructosamine,3TMS,isomer #7C[Si](C)(C)O[C@]1(CN([Si](C)(C)C)[Si](C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O1977.6Semi standard non polar33892256
Fructosamine,3TMS,isomer #8C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@]1(O)CN1745.8Semi standard non polar33892256
Fructosamine,3TMS,isomer #9C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1808.5Semi standard non polar33892256
Fructosamine,4TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@@]1(CN)O[Si](C)(C)C1836.0Semi standard non polar33892256
Fructosamine,4TMS,isomer #10C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN([Si](C)(C)C)[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C1939.7Semi standard non polar33892256
Fructosamine,4TMS,isomer #11C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[C@]1(O)CN([Si](C)(C)C)[Si](C)(C)C1979.1Semi standard non polar33892256
Fructosamine,4TMS,isomer #2C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1857.6Semi standard non polar33892256
Fructosamine,4TMS,isomer #3C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1835.2Semi standard non polar33892256
Fructosamine,4TMS,isomer #4C[Si](C)(C)O[C@@H]1CO[C@@](CN([Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O1966.6Semi standard non polar33892256
Fructosamine,4TMS,isomer #5C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1876.0Semi standard non polar33892256
Fructosamine,4TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)OC[C@H]1O1995.4Semi standard non polar33892256
Fructosamine,4TMS,isomer #7C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1980.1Semi standard non polar33892256
Fructosamine,4TMS,isomer #8C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1829.3Semi standard non polar33892256
Fructosamine,4TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)CO[C@]1(O)CN([Si](C)(C)C)[Si](C)(C)C1983.3Semi standard non polar33892256
Fructosamine,5TMS,isomer #1C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1929.8Semi standard non polar33892256
Fructosamine,5TMS,isomer #1C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2003.6Standard non polar33892256
Fructosamine,5TMS,isomer #1C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1892.8Standard polar33892256
Fructosamine,5TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2028.6Semi standard non polar33892256
Fructosamine,5TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2127.9Standard non polar33892256
Fructosamine,5TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2032.8Standard polar33892256
Fructosamine,5TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C2005.2Semi standard non polar33892256
Fructosamine,5TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C2075.0Standard non polar33892256
Fructosamine,5TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C2008.6Standard polar33892256
Fructosamine,5TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2045.2Semi standard non polar33892256
Fructosamine,5TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2070.6Standard non polar33892256
Fructosamine,5TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1961.5Standard polar33892256
Fructosamine,5TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@]1(O)CN([Si](C)(C)C)[Si](C)(C)C1994.7Semi standard non polar33892256
Fructosamine,5TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@]1(O)CN([Si](C)(C)C)[Si](C)(C)C2062.3Standard non polar33892256
Fructosamine,5TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@]1(O)CN([Si](C)(C)C)[Si](C)(C)C1995.2Standard polar33892256
Fructosamine,6TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2098.2Semi standard non polar33892256
Fructosamine,6TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2127.9Standard non polar33892256
Fructosamine,6TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[C@@]1(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1924.7Standard polar33892256
Fructosamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@]1(CN)OC[C@@H](O)[C@@H](O)[C@@H]1O2009.0Semi standard non polar33892256
Fructosamine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@](O)(CN)[C@@H](O)[C@@H]1O2005.0Semi standard non polar33892256
Fructosamine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN)OC[C@H]1O1981.4Semi standard non polar33892256
Fructosamine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]1(O)CN1989.2Semi standard non polar33892256
Fructosamine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O2135.5Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@](CN)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2210.1Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2287.4Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2415.3Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CN)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O2196.1Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@@]1(CN)O[Si](C)(C)C(C)(C)C2190.8Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O2300.9Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]1(O)CN2194.0Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN)OC[C@H]1O[Si](C)(C)C(C)(C)C2175.4Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2282.0Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[C@]1(O)CN2187.8Semi standard non polar33892256
Fructosamine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2280.0Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN)O[Si](C)(C)C(C)(C)C2438.2Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2484.7Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@](O)(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2636.1Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2493.1Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC[C@H]1O2612.6Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]1(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2629.7Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CN)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O[Si](C)(C)C(C)(C)C2448.9Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2509.2Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[C@@]1(CN)O[Si](C)(C)C(C)(C)C2444.9Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2520.4Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2495.2Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O2617.9Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]1(O)CN2424.5Semi standard non polar33892256
Fructosamine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2503.7Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN)O[Si](C)(C)C(C)(C)C2665.1Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC[C@H]1O[Si](C)(C)C(C)(C)C2818.1Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[C@]1(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2826.8Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2702.4Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(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]1O2693.0Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2834.3Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2698.2Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O2839.6Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2824.0Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2693.4Semi standard non polar33892256
Fructosamine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]1(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2846.8Semi standard non polar33892256
Fructosamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(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]1O[Si](C)(C)C(C)(C)C2897.7Semi standard non polar33892256
Fructosamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(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]1O[Si](C)(C)C(C)(C)C2880.7Standard non polar33892256
Fructosamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC[C@@]1(O[Si](C)(C)C(C)(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]1O[Si](C)(C)C(C)(C)C2502.1Standard polar33892256
Fructosamine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3047.7Semi standard non polar33892256
Fructosamine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3007.5Standard non polar33892256
Fructosamine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2566.0Standard polar33892256
Fructosamine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O[Si](C)(C)C(C)(C)C3050.4Semi standard non polar33892256
Fructosamine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O[Si](C)(C)C(C)(C)C2962.0Standard non polar33892256
Fructosamine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)OC[C@H]1O[Si](C)(C)C(C)(C)C2546.6Standard polar33892256
Fructosamine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3048.3Semi standard non polar33892256
Fructosamine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2960.1Standard non polar33892256
Fructosamine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2514.5Standard polar33892256
Fructosamine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]1(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3062.3Semi standard non polar33892256
Fructosamine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]1(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2960.7Standard non polar33892256
Fructosamine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@]1(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2539.5Standard polar33892256
Fructosamine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3281.2Semi standard non polar33892256
Fructosamine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3163.5Standard non polar33892256
Fructosamine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@]1(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2594.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Fructosamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9300000000-4706e786831a83f7fdae2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructosamine GC-MS (4 TMS) - 70eV, Positivesplash10-00di-2920100000-72782c8bd8e44300b3172017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fructosamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 10V, Positive-QTOFsplash10-01q9-0900000000-fa504cd79cbfd6e45f1f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 20V, Positive-QTOFsplash10-01q9-2900000000-5e5687353a546e6c16ef2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 40V, Positive-QTOFsplash10-05ar-9200000000-4e65a2b6f1c459eb13c92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 10V, Negative-QTOFsplash10-00fu-9600000000-5119143995339c78ad832017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 20V, Negative-QTOFsplash10-00fr-9700000000-41083fc8476785e539982017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 40V, Negative-QTOFsplash10-0006-9000000000-2584bd1445d20f6e57472017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 10V, Positive-QTOFsplash10-01ot-0900000000-4d89cae6c9a7e59fca4a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 20V, Positive-QTOFsplash10-03e9-7900000000-cf9880807567a3cb27522021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 40V, Positive-QTOFsplash10-01ox-9000000000-28e351a8717de586ec692021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 10V, Negative-QTOFsplash10-004i-6900000000-ffe71ad3e65f7b31f76e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 20V, Negative-QTOFsplash10-0adi-9200000000-5096012007a6fe6dd9f72021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fructosamine 40V, Negative-QTOFsplash10-0abc-9000000000-39cc27e8040279e219a02021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified1980 +/- 320 uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified2300 (1850 - 2850) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified4750.0 +/- 2950.0 uMAdult (>18 years old)FemaleNormal details
SalivaDetected and Quantified<1.00 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified2220 +/- 250 uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified192 (149-242) uMAdult (>18 years old)Both11-beta-hydroxylase deficiency details
BloodDetected and Quantified338.7 +/- 77.4 uMAdult (>18 years old)Both
Diabetes		 details
BloodDetected and Quantified228 (180–255) uMAdult (>18 years old)BothCirrhosis details
BloodDetected and Quantified315 (260–430) uMAdult (>18 years old)Both
Kidney disease		 details
BloodDetected and Quantified254 (193–315) uMAdult (>18 years old)Both
Diabetes mellitus type 2		 details
BloodDetected and Quantified408 (346–653) uMAdult (>18 years old)Both
Diabetes mellitus type 2		 details
Associated Disorders and Diseases
Disease References
Diabetes mellitus type 2
  1. Guevara-Aguirre J, Guevara-Aguirre M, Saavedra J, Bernstein G, Rosenbloom AL: Comparison of oral insulin spray and subcutaneous regular insulin at mealtime in type 1 diabetes. Diabetes Technol Ther. 2007 Aug;9(4):372-6. [PubMed:17705693 ]
  2. Paroni R, Ceriotti F, Galanello R, Battista Leoni G, Panico A, Scurati E, Paleari R, Chemello L, Quaino V, Scaldaferri L, Lapolla A, Mosca A: Performance characteristics and clinical utility of an enzymatic method for the measurement of glycated albumin in plasma. Clin Biochem. 2007 Dec;40(18):1398-405. Epub 2007 Aug 10. [PubMed:17919531 ]
Pregnancy
  1. Khan HA, Sobki SH, Alhomida AS: Fluctuations in fasting blood glucose and serum fructosamine in pregnant women monitored on successive antenatal visits. Clin Exp Med. 2006 Oct;6(3):134-7. [PubMed:17061063 ]
11-beta-Hydroxylase deficiency
  1. Paroni R, Ceriotti F, Galanello R, Battista Leoni G, Panico A, Scurati E, Paleari R, Chemello L, Quaino V, Scaldaferri L, Lapolla A, Mosca A: Performance characteristics and clinical utility of an enzymatic method for the measurement of glycated albumin in plasma. Clin Biochem. 2007 Dec;40(18):1398-405. Epub 2007 Aug 10. [PubMed:17919531 ]
Cirrhosis
  1. Paroni R, Ceriotti F, Galanello R, Battista Leoni G, Panico A, Scurati E, Paleari R, Chemello L, Quaino V, Scaldaferri L, Lapolla A, Mosca A: Performance characteristics and clinical utility of an enzymatic method for the measurement of glycated albumin in plasma. Clin Biochem. 2007 Dec;40(18):1398-405. Epub 2007 Aug 10. [PubMed:17919531 ]
Kidney disease
  1. Paroni R, Ceriotti F, Galanello R, Battista Leoni G, Panico A, Scurati E, Paleari R, Chemello L, Quaino V, Scaldaferri L, Lapolla A, Mosca A: Performance characteristics and clinical utility of an enzymatic method for the measurement of glycated albumin in plasma. Clin Biochem. 2007 Dec;40(18):1398-405. Epub 2007 Aug 10. [PubMed:17919531 ]
Associated OMIM IDs
  • 125853 (Diabetes mellitus type 2)
  • 202010 (11-beta-Hydroxylase deficiency)
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022807
KNApSAcK IDNot Available
Chemspider ID19291
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFructosamine
METLIN IDNot Available
PubChem Compound20484
PDB IDNot Available
ChEBI ID24103
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000368
Good Scents IDNot Available
References
Synthesis ReferenceLiu, Gui-Rong; Qiu, Ye; Yang, Qun-Shui. Synthesis of fructosamine and its application in cigarettes. Yancao Keji (2006), (8), 33-34, 37.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Morenkova SA: [Comparative analysis of dependence of saliva sorbitol and fructosamine levels on blood glucose level in patients with diabetes]. Biomed Khim. 2004;50(6):612-4. [PubMed:15707277 ]
  2. Armbruster DA: Fructosamine: structure, analysis, and clinical usefulness. Clin Chem. 1987 Dec;33(12):2153-63. [PubMed:3319287 ]

Enzymes

Enzyme Details
1. Fructosamine-3-kinase
General function:
Carbohydrate transport and metabolism
Specific function:
May initiate a process leading to the deglycation of fructoselysine and of glycated proteins. May play a role in the phosphorylation of 1-deoxy-1-morpholinofructose (DMF), fructoselysine, fructoseglycine, fructose and glycated lysozyme
Gene Name:
FN3K
Uniprot ID:
Q9H479
Molecular weight:
35170.9
Enzyme Details
2. Ketosamine-3-kinase
General function:
Carbohydrate transport and metabolism
Specific function:
Phosphorylates psicosamines and ribulosamines, but not fructosamines, on the third carbon of the sugar moiety. Protein- bound psicosamine 3-phosphates and ribulosamine 3-phosphates are unstable and decompose under physiological conditions. Thus phosphorylation leads to deglycation
Gene Name:
FN3KRP
Uniprot ID:
Q9HA64
Molecular weight:
34412.0
Enzyme Details
3. G/T mismatch-specific thymine DNA glycosylase
General function:
Involved in hydrolase activity, hydrolyzing N-glycosyl compounds
Specific function:
In the DNA of higher eukaryotes, hydrolytic deamination of 5-methylcytosine to thymine leads to the formation of G/T mismatches. This enzyme corrects G/T mispairs to G/C pairs. It is capable of hydrolyzing the carbon-nitrogen bond between the sugar- phosphate backbone of the DNA and a mispaired thymine. In addition to the G/T, it can remove thymine also from C/T and T/T mispairs in the order G/T >> C/T > T/T. It has no detectable activity on apyrimidinic sites and does not catalyze the removal of thymine from A/T pairs or from single-stranded DNA. It can also remove uracil and 5-bromouracil from mispairs with guanine
Gene Name:
TDG
Uniprot ID:
Q13569
Molecular weight:
46053.0