RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136165
RefMet name	Fructosamine
Systematic name	(2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol
Synonyms	PubChem Synonyms
Exact mass	179.079373 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C6H13NO5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37982 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	IXZISFNWUWKBOM-ARQDHWQXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@H]([C@H]([C@@H]([C@](CN)(O)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Hexoses
Distribution of Fructosamine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Fructosamine
External Links
Pubchem CID	20484
ChEBI ID	24103
HMDB ID	HMDB0002030
Chemspider ID	19291
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)