RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136091
RefMet nameMaltotriose
Systematic name(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SynonymsPubChem Synonyms
Exact mass504.169040 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC18H32O16View other entries in RefMet with this formula
Molecular descriptors
Molfile37690 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-
3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
InChIKeyFYGDTMLNYKFZSV-DZOUCCHMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)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 ClassCarbohydrates
Main ClassOligosaccharides
Sub ClassOligosaccharides
Distribution of Maltotriose in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Maltotriose
External Links
Pubchem CID439586
ChEBI ID140999
KEGG IDC01835
HMDB IDHMDB0001262
Chemspider ID388669
MetaCyc IDMALTOTRIOSE
EPA CompToxDTXCID60876602
Spectral data for Maltotriose standards
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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