RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135901
RefMet name	Glucose
Systematic name	(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
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	37084 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKey	WQZGKKKJIJFFOK-GASJEMHNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@@H]([C@H](C(O)O1)O)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 Glucose 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 Glucose
External Links
Pubchem CID	5793
ChEBI ID	4167
KEGG ID	C00031
HMDB ID	HMDB0304632
Chemspider ID	5589
EPA CompTox	DTXCID40202844
Spectral data for Glucose standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS 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 Glucose

Rxn ID	KEGG Reaction	Enzyme
R00010	alpha,alpha-Trehalose + H2O <=> 2 D-Glucose	alpha,alpha-trehalose glucohydrolase
R00028	Maltose + H2O <=> 2 D-Glucose	maltose glucohydrolase
R00299	ATP + D-Glucose <=> ADP + D-Glucose 6-phosphate	ATP:D-glucose 6-phosphotransferase
R00303	D-Glucose 6-phosphate + H2O <=> D-Glucose + Orthophosphate	D-Glucose-6-phosphate phosphohydrolase
R00306	Cellobiose + H2O <=> 2 D-Glucose	cellobiose glucohydrolase
R01101	Melibiose + H2O <=> D-Galactose + D-Glucose	melibiose galactohydrolase
R01555	Maltose + Orthophosphate <=> D-Glucose + beta-D-Glucose 1-phosphate	Maltose:phosphate 1-beta-D-glucosyltransferase
R01600	ATP + beta-D-Glucose <=> ADP + beta-D-Glucose 6-phosphate	ATP:beta-D-glucose 6-phosphotransferase
R01602	alpha-D-Glucose <=> beta-D-Glucose	D-glucose 1-epimerase
R01718	Isomaltose + H2O <=> alpha-D-Glucose + D-Glucose	Isomaltose 6-alpha-D-glucanohydrolase
R01786	ATP + alpha-D-Glucose <=> ADP + alpha-D-Glucose 6-phosphate	ATP:alpha-D-glucose 6-phosphotransferase
R01787	D-Sorbitol + NADP+ <=> alpha-D-Glucose + NADPH + H+	D-Glucitol:NADP+ 1-oxidoreductase
R01788	alpha-D-Glucose 6-phosphate + H2O <=> alpha-D-Glucose + Orthophosphate	alpha-D-Glucose 6-phosphate phosphohydrolase
R01790	Starch + H2O <=> D-Glucose + Starch	1,4-alpha-D-Glucan glucohydrolase
R01791	Dextrin + H2O <=> D-Glucose + Dextrin	Dextrin 6-alpha-D-glucanohydrolase
R02189	Polyphosphate + alpha-D-Glucose <=> Polyphosphate + alpha-D-Glucose 6-phosphate	Polyphosphate:D-glucose 6-phosphotransferase
R02727	alpha,alpha-Trehalose + Orthophosphate <=> D-Glucose + beta-D-Glucose 1-phosphate	alpha,alpha-Trehalose:orthophosphate beta-D-glucosyltransferase
R02738	Protein N(pi)-phospho-L-histidine + D-Glucose <=> Protein histidine + alpha-D-Glucose 6-phosphate	protein-N(pi)-phosphohistidine:D-glucose 6-phosphotransferase
R03527	beta-D-Glucoside + H2O <=> D-Glucose + ROH	D-Glucoside glucohydrolase
R05196	Amylose + n D-Glucose <=> n Maltose	1,4-alpha-D-Glucan:1,4-alpha-D-glucan 4-alpha-D-glycosyltransferase
R09085	alpha-D-Glucose + ADP <=> alpha-D-Glucose 6-phosphate + AMP	ADP:D-glucose 6-phosphotransferase
R09086	beta-D-Glucose + ADP <=> beta-D-Glucose 6-phosphate + AMP	ADP:D-glucose 6-phosphotransferase

Table of KEGG human pathways containing Glucose

Pathway ID	Human Pathway	# of reactions
hsa00500	Starch and sucrose metabolism	10
hsa00010	Glycolysis / Gluconeogenesis	6
hsa00052	Galactose metabolism	5
hsa01100	Metabolic pathways	3
hsa01200	Carbon metabolism	1
hsa01250	Biosynthesis of nucleotide sugars	1
hsa00051	Fructose and mannose metabolism	1
hsa00520	Amino sugar and nucleotide sugar metabolism	1
hsa00524	Neomycin, kanamycin and gentamicin biosynthesis	1