RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136734
RefMet name	Fructose
Systematic name	(3S,4R,5R)-1,3,4,5,6-pentakis(oxidanyl)hexan-2-one
Synonyms	PubChem Synonyms
Exact mass	180.063390 (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	C6H12O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	49823 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
InChIKey	LKDRXBCSQODPBY-VRPWFDPXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@H]([C@H]([C@@H](C(CO)(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 Fructose 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 Fructose
External Links
Pubchem CID	2723872
ChEBI ID	37714
KEGG ID	C00095
HMDB ID	HMDB0062538
Spectral data for Fructose standards
NP-MRD ID(NMR)	View NMR spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Fructose

Rxn ID	KEGG Reaction	Enzyme
R00760	ATP + D-Fructose <=> ADP + D-Fructose 6-phosphate	ATP:D-fructose 6-phosphotransferase
R00866	ATP + D-Fructose <=> ADP + D-Fructose 1-phosphate	ATP:D-fructose 1-phosphotransferase
R00867	ATP + D-Fructose <=> ADP + beta-D-Fructose 6-phosphate	ATP:D-fructose 6-phosphotransferase
R00875	D-Sorbitol + NAD+ <=> D-Fructose + NADH + H+	D-Glucitol:NAD+ 2-oxidoreductase
R03232	Protein N(pi)-phospho-L-histidine + D-Fructose <=> Protein histidine + D-Fructose 1-phosphate	protein-N(pi)-phosphohistidine:D-fructose 1-phosphotransferase
R03920	ATP + beta-D-Fructose <=> ADP + beta-D-Fructose 6-phosphate	ATP:D-fructose 6-phosphotransferase

Table of KEGG human pathways containing Fructose

Pathway ID	Human Pathway	# of reactions
hsa00051	Fructose and mannose metabolism	3
hsa00500	Starch and sucrose metabolism	2
hsa00052	Galactose metabolism	1
hsa00520	Amino sugar and nucleotide sugar metabolism	1
hsa01100	Metabolic pathways	1