RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0139031
RefMet name	Maltose
Systematic name	alpha-D-glucopyranosyl-(1->4)-D-glucopyranose;alpha-D-glucopyranosyl-(1->4)-D-glucose
Synonyms	PubChem Synonyms
Exact mass	342.116215 (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	C12H22O11	View other entries in RefMet with this formula
Molecular descriptors
Molfile	50855 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12 -/m1/s1
InChIKey	GUBGYTABKSRVRQ-PICCSMPSSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H](CO)OC([C@@H]([C@H]1O)O)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Disaccharides
Sub Class	Disaccharides
Distribution of Maltose in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Maltose
External Links
Pubchem CID	439186
ChEBI ID	17306
KEGG ID	C00208
HMDB ID	HMDB0000163
EPA CompTox	DTXCID10197415
Spectral data for Maltose standards
BMRB 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 Maltose

Rxn ID	KEGG Reaction	Enzyme
R00028	Maltose + H2O <=> 2 D-Glucose	maltose glucohydrolase
R01555	Maltose + Orthophosphate <=> D-Glucose + beta-D-Glucose 1-phosphate	Maltose:phosphate 1-beta-D-glucosyltransferase
R05196	Amylose + n D-Glucose <=> n Maltose	1,4-alpha-D-Glucan:1,4-alpha-D-glucan 4-alpha-D-glycosyltransferase
R11262	Maltodextrin + H2O <=> Maltose	maltodextrin maltohydrolase

Table of KEGG human pathways containing Maltose

Pathway ID	Human Pathway	# of reactions
hsa00500	Starch and sucrose metabolism	2
hsa01100	Metabolic pathways	2