RefMet Compound Details

MW structure49899 (View MW Metabolite Database details)
RefMet nameRaffinose
Systematic name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILESC([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@]2(CO)[C@H]([C@@H]([C@@H](CO)O2)
O)O)O)O)O)O1)O)O)O)O
  Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
InChIInChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-2
9H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
InChIKeyMUPFEKGTMRGPLJ-ZQSKZDJDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassOligosaccharides
Sub ClassOligosaccharides
Pubchem CID439242
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Raffinose

Rxn IDKEGG ReactionEnzyme
R03418 alpha-D-Galactosyl-(1->3)-1D-myo-inositol + Raffinose <=> myo-Inositol + Stachyose1-alpha-D-Galactosyl-myo-inositol:raffinose galactosyltransferase
R01103 Raffinose + H2O <=> D-Galactose + SucroseRaffinose galactohydrolase
R03634 Stachyose + H2O <=> Raffinose + D-GalactoseStachyose + H2O <=> Raffinose + D-Galactose

Table of KEGG human pathways containing Raffinose

Pathway IDHuman Pathway# of reactions
hsa00052 Galactose metabolism 2
hsa01100 Metabolic pathways 1
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