RefMet Compound Details

RefMet IDRM0034560
MW structure37044 (View MW Metabolite Database details)
RefMet nameMelibiose
Systematic namealpha-D-galactopyranosyl-1-6-D-glucopyranose
SMILESC([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](OC[C@@H]2[C@H]([C@@H]([C@H](C(O)O2)O)O)O)O1)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass342.116215 (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
FormulaC12H22O11View other entries in RefMet with this formula
InChIInChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+
/m1/s1
InChIKeyDLRVVLDZNNYCBX-ABXHMFFYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassDisaccharides
Sub ClassDisaccharides
Pubchem CID440658
ChEBI ID28053
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Melibiose

Rxn IDKEGG ReactionEnzyme
R01101 Melibiose + H2O <=> D-Galactose + D-Glucosemelibiose galactohydrolase

Table of KEGG human pathways containing Melibiose

Pathway IDHuman Pathway# of reactions
hsa00052 Galactose metabolism 1
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