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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 14:17:32 UTC

Update Date

2023-02-21 17:16:04 UTC

HMDB ID

HMDB0002030

Secondary Accession Numbers

HMDB02030

Metabolite Identification

Common Name

Fructosamine

Description

Fructosamine 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

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

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-Amino-1-deoxy-D-fructose	HMDB
D-Isoglucosamine	HMDB
D Isoglucosamine	HMDB
Fructosamine	MeSH

Chemical Formula

C₆H₁₃NO₅

Average Molecular Weight

179.1711

Monoisotopic Molecular Weight

179.079372531

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 Number

4429-04-3

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 Key

IXZISFNWUWKBOM-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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharides

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 Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Health effect

Observation

Pregnancy (HMDB: HMDB0002030)

Endocrine system disorder

Diabetes mellitus type 2 (HMDB: HMDB0002030)

Genetic disorder

Inborn errors of metabolism

Genetic hormonal aberration

Congenital adrenal hyperplasia

11-beta-hydroxylase deficiency (HMDB: HMDB0002030)

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 17705693)
Saliva (PMID: 15707277)

Source

Endogenous

Endogenous (HMDB: HMDB0002030)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Biomarker

Kidney disease (MarkerDB: MDB00000368)
Chronic kidney disease (MarkerDB: MDB00000368)
Diabetes mellitus type 2 (MarkerDB: MDB00000368)
11-beta-hydroxylase deficiency (MarkerDB: MDB00000368)
Cirrhosis (MarkerDB: MDB00000368)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	990 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-2.9	ChemAxon
logS	0.74	ALOGPS
pKa (Strongest Acidic)	10.71	ChemAxon
pKa (Strongest Basic)	8.17	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	116.17 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	38.02 m³·mol⁻¹	ChemAxon
Polarizability	16.43 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	140.714	31661259
DarkChem	[M-H]-	135.331	31661259
DeepCCS	[M+H]+	140.845	30932474
DeepCCS	[M-H]-	138.46	30932474
DeepCCS	[M-2H]-	172.699	30932474
DeepCCS	[M+Na]+	147.073	30932474
AllCCS	[M+H]+	140.2	32859911
AllCCS	[M+H-H2O]+	136.0	32859911
AllCCS	[M+NH4]+	144.2	32859911
AllCCS	[M+Na]+	145.4	32859911
AllCCS	[M-H]-	132.0	32859911
AllCCS	[M+Na-2H]-	133.0	32859911
AllCCS	[M+HCOO]-	134.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Fructosamine	NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	2956.6	Standard polar	33892256
Fructosamine	NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	2083.6	Standard non polar	33892256
Fructosamine	NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	1703.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Fructosamine,1TMS,isomer #1	C[Si](C)(C)O[C@]1(CN)OC[C@@H](O)[C@@H](O)[C@@H]1O	1748.8	Semi standard non polar	33892256
Fructosamine,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1CO[C@](O)(CN)[C@@H](O)[C@@H]1O	1747.8	Semi standard non polar	33892256
Fructosamine,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN)OC[C@H]1O	1748.1	Semi standard non polar	33892256
Fructosamine,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]1(O)CN	1757.7	Semi standard non polar	33892256
Fructosamine,1TMS,isomer #5	C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	1876.8	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1CO[C@@](CN)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	1751.7	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #10	C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	1825.0	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #11	C[Si](C)(C)N(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2005.2	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN)(O[Si](C)(C)C)OC[C@H]1O	1754.5	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@@]1(CN)O[Si](C)(C)C	1749.4	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #4	C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O	1810.8	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)CO[C@]1(O)CN	1728.4	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN)OC[C@H]1O[Si](C)(C)C	1716.7	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #7	C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	1815.0	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[C@]1(O)CN	1735.6	Semi standard non polar	33892256
Fructosamine,2TMS,isomer #9	C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	1822.5	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #1	C[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)C	1786.2	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #10	C[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	1789.9	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1CO[C@](O)(CN([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O	1983.3	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #12	C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	1824.1	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #13	C[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	1973.8	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #14	C[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)C	1987.7	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CN)(O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C	1781.2	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #3	C[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	1813.7	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #4	C[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)C	1800.8	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #5	C[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	1836.6	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #6	C[Si](C)(C)NC[C@@]1(O[Si](C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	1801.8	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #7	C[Si](C)(C)O[C@]1(CN([Si](C)(C)C)[Si](C)(C)C)OC[C@@H](O)[C@@H](O)[C@@H]1O	1977.6	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #8	C[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	1745.8	Semi standard non polar	33892256
Fructosamine,3TMS,isomer #9	C[Si](C)(C)NC[C@@]1(O)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	1808.5	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #1	C[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)C	1836.0	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #10	C[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)C	1939.7	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #11	C[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)C	1979.1	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #2	C[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)C	1857.6	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #3	C[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	1835.2	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #4	C[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]1O	1966.6	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #5	C[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)C	1876.0	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #6	C[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	1995.4	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #7	C[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)C	1980.1	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #8	C[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)C	1829.3	Semi standard non polar	33892256
Fructosamine,4TMS,isomer #9	C[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)C	1983.3	Semi standard non polar	33892256
Fructosamine,5TMS,isomer #1	C[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)C	1929.8	Semi standard non polar	33892256
Fructosamine,5TMS,isomer #1	C[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)C	2003.6	Standard non polar	33892256
Fructosamine,5TMS,isomer #1	C[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)C	1892.8	Standard polar	33892256
Fructosamine,5TMS,isomer #2	C[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)C	2028.6	Semi standard non polar	33892256
Fructosamine,5TMS,isomer #2	C[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)C	2127.9	Standard non polar	33892256
Fructosamine,5TMS,isomer #2	C[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)C	2032.8	Standard polar	33892256
Fructosamine,5TMS,isomer #3	C[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)C	2005.2	Semi standard non polar	33892256
Fructosamine,5TMS,isomer #3	C[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)C	2075.0	Standard non polar	33892256
Fructosamine,5TMS,isomer #3	C[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)C	2008.6	Standard polar	33892256
Fructosamine,5TMS,isomer #4	C[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)C	2045.2	Semi standard non polar	33892256
Fructosamine,5TMS,isomer #4	C[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)C	2070.6	Standard non polar	33892256
Fructosamine,5TMS,isomer #4	C[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)C	1961.5	Standard polar	33892256
Fructosamine,5TMS,isomer #5	C[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)C	1994.7	Semi standard non polar	33892256
Fructosamine,5TMS,isomer #5	C[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)C	2062.3	Standard non polar	33892256
Fructosamine,5TMS,isomer #5	C[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)C	1995.2	Standard polar	33892256
Fructosamine,6TMS,isomer #1	C[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)C	2098.2	Semi standard non polar	33892256
Fructosamine,6TMS,isomer #1	C[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)C	2127.9	Standard non polar	33892256
Fructosamine,6TMS,isomer #1	C[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)C	1924.7	Standard polar	33892256
Fructosamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@]1(CN)OC[C@@H](O)[C@@H](O)[C@@H]1O	2009.0	Semi standard non polar	33892256
Fructosamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@](O)(CN)[C@@H](O)[C@@H]1O	2005.0	Semi standard non polar	33892256
Fructosamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CN)OC[C@H]1O	1981.4	Semi standard non polar	33892256
Fructosamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]1(O)CN	1989.2	Semi standard non polar	33892256
Fructosamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	2135.5	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@](CN)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2210.1	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #10	CC(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)C	2287.4	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #11	CC(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)C	2415.3	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #2	CC(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	2196.1	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #3	CC(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)C	2190.8	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #4	CC(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	2300.9	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #5	CC(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	2194.0	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #6	CC(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)C	2175.4	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #7	CC(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	2282.0	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #8	CC(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	2187.8	Semi standard non polar	33892256
Fructosamine,2TBDMS,isomer #9	CC(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	2280.0	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #1	CC(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)C	2438.2	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #10	CC(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	2484.7	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #11	CC(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]1O	2636.1	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #12	CC(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)C	2493.1	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #13	CC(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	2612.6	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #14	CC(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)C	2629.7	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #2	CC(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)C	2448.9	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #3	CC(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	2509.2	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #4	CC(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)C	2444.9	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #5	CC(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	2520.4	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #6	CC(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)C	2495.2	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #7	CC(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]1O	2617.9	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #8	CC(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	2424.5	Semi standard non polar	33892256
Fructosamine,3TBDMS,isomer #9	CC(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)C	2503.7	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #1	CC(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)C	2665.1	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #10	CC(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)C	2818.1	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #11	CC(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)C	2826.8	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #2	CC(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)C	2702.4	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #3	CC(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	2693.0	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #4	CC(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]1O	2834.3	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #5	CC(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)C	2698.2	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #6	CC(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	2839.6	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #7	CC(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)C	2824.0	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #8	CC(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)C	2693.4	Semi standard non polar	33892256
Fructosamine,4TBDMS,isomer #9	CC(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)C	2846.8	Semi standard non polar	33892256
Fructosamine,5TBDMS,isomer #1	CC(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)C	2897.7	Semi standard non polar	33892256
Fructosamine,5TBDMS,isomer #1	CC(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)C	2880.7	Standard non polar	33892256
Fructosamine,5TBDMS,isomer #1	CC(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)C	2502.1	Standard polar	33892256
Fructosamine,5TBDMS,isomer #2	CC(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)C	3047.7	Semi standard non polar	33892256
Fructosamine,5TBDMS,isomer #2	CC(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)C	3007.5	Standard non polar	33892256
Fructosamine,5TBDMS,isomer #2	CC(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)C	2566.0	Standard polar	33892256
Fructosamine,5TBDMS,isomer #3	CC(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)C	3050.4	Semi standard non polar	33892256
Fructosamine,5TBDMS,isomer #3	CC(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)C	2962.0	Standard non polar	33892256
Fructosamine,5TBDMS,isomer #3	CC(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)C	2546.6	Standard polar	33892256
Fructosamine,5TBDMS,isomer #4	CC(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)C	3048.3	Semi standard non polar	33892256
Fructosamine,5TBDMS,isomer #4	CC(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)C	2960.1	Standard non polar	33892256
Fructosamine,5TBDMS,isomer #4	CC(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)C	2514.5	Standard polar	33892256
Fructosamine,5TBDMS,isomer #5	CC(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)C	3062.3	Semi standard non polar	33892256
Fructosamine,5TBDMS,isomer #5	CC(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)C	2960.7	Standard non polar	33892256
Fructosamine,5TBDMS,isomer #5	CC(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)C	2539.5	Standard polar	33892256
Fructosamine,6TBDMS,isomer #1	CC(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)C	3281.2	Semi standard non polar	33892256
Fructosamine,6TBDMS,isomer #1	CC(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)C	3163.5	Standard non polar	33892256
Fructosamine,6TBDMS,isomer #1	CC(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)C	2594.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Fructosamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9300000000-4706e786831a83f7fdae	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructosamine GC-MS (4 TMS) - 70eV, Positive	splash10-00di-2920100000-72782c8bd8e44300b317	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructosamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 10V, Positive-QTOF	splash10-01q9-0900000000-fa504cd79cbfd6e45f1f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 20V, Positive-QTOF	splash10-01q9-2900000000-5e5687353a546e6c16ef	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 40V, Positive-QTOF	splash10-05ar-9200000000-4e65a2b6f1c459eb13c9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 10V, Negative-QTOF	splash10-00fu-9600000000-5119143995339c78ad83	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 20V, Negative-QTOF	splash10-00fr-9700000000-41083fc8476785e53998	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 40V, Negative-QTOF	splash10-0006-9000000000-2584bd1445d20f6e5747	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 10V, Positive-QTOF	splash10-01ot-0900000000-4d89cae6c9a7e59fca4a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 20V, Positive-QTOF	splash10-03e9-7900000000-cf9880807567a3cb2752	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 40V, Positive-QTOF	splash10-01ox-9000000000-28e351a8717de586ec69	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 10V, Negative-QTOF	splash10-004i-6900000000-ffe71ad3e65f7b31f76e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 20V, Negative-QTOF	splash10-0adi-9200000000-5096012007a6fe6dd9f7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructosamine 40V, Negative-QTOF	splash10-0abc-9000000000-39cc27e8040279e219a0	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Saliva

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	1980 +/- 320 uM	Adult (>18 years old)	Female	Normal	10326628	details
Blood	Detected and Quantified	2300 (1850 - 2850) uM	Adult (>18 years old)	Both	Normal	3802467	details
Blood	Detected and Quantified	4750.0 +/- 2950.0 uM	Adult (>18 years old)	Female	Normal	17061063	details
Saliva	Detected and Quantified	<1.00 uM	Adult (>18 years old)	Both	Normal	15707277	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	2220 +/- 250 uM	Adult (>18 years old)	Female	Pregnancy	17061063	details
Blood	Detected and Quantified	192 (149-242) uM	Adult (>18 years old)	Both	11-beta-hydroxylase deficiency	17919531	details
Blood	Detected and Quantified	338.7 +/- 77.4 uM	Adult (>18 years old)	Both	Diabetes	17705693	details
Blood	Detected and Quantified	228 (180–255) uM	Adult (>18 years old)	Both	Cirrhosis	17919531	details
Blood	Detected and Quantified	315 (260–430) uM	Adult (>18 years old)	Both	Kidney disease	17919531	details
Blood	Detected and Quantified	254 (193–315) uM	Adult (>18 years old)	Both	Diabetes mellitus type 2	17919531	details
Blood	Detected and Quantified	408 (346–653) uM	Adult (>18 years old)	Both	Diabetes mellitus type 2	17919531	details

Associated Disorders and Diseases

Disease References

Diabetes mellitus type 2
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 ] 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
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
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
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
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)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022807

KNApSAcK ID

Not Available

Chemspider ID

19291

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Fructosamine

METLIN ID

Not Available

PubChem Compound

20484

PDB ID

Not Available

ChEBI ID

24103

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00000368

Good Scents ID

Not Available

References

Synthesis Reference

Liu, 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)

Not Available

General References

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 ]
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

Showing metabocard for Fructosamine (HMDB0002030)

MOL for HMDB0002030 (Fructosamine)

3D MOL for HMDB0002030 (Fructosamine)

3D SDF for HMDB0002030 (Fructosamine)

3D-SDF for HMDB0002030 (Fructosamine)

PDB for HMDB0002030 (Fructosamine)

3D PDB for HMDB0002030 (Fructosamine)

SMILES for HMDB0002030 (Fructosamine)

INCHI for HMDB0002030 (Fructosamine)

Structure for HMDB0002030 (Fructosamine)

3D Structure for HMDB0002030 (Fructosamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes