RefMet Compound Details

MW structure49811 (View MW Metabolite Database details)
RefMet nameMyo-inositol
Systematic namecyclohexane-1R,2R,3S,4S,5R,6S-hexol
SMILES[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass180.063390 (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
FormulaC6H12O6View other entries in RefMet with this formula
InChIKeyCDAISMWEOUEBRE-GPIVLXJGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassAlcohols and polyols
Sub ClassInositols
Pubchem CID892
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Myo-inositol

Rxn IDKEGG ReactionEnzyme
R01802 CDP-diacylglycerol + myo-Inositol <=> CMP + 1-Phosphatidyl-D-myo-inositolCDP-diacylglycerol:myo-inositol 3-phosphatidyltransferase
R01187 1D-myo-Inositol 3-phosphate + H2O <=> myo-Inositol + Orthophosphate1D-myo-inositol 3-phosphate phosphohydrolase
R07279 ATP + myo-Inositol <=> ADP + 1D-myo-Inositol 3-phosphateATP:1D-myo-inositol 3-phosphotransferase
R01186 myo-Inositol 4-phosphate + H2O <=> myo-Inositol + Orthophosphate1D-myo-inositol 4-phosphate phosphohydrolase
R01184 myo-Inositol + Oxygen <=> D-Glucuronate + H2Omyo-Inositol:oxygen oxidoreductase
R01185 Inositol 1-phosphate + H2O <=> myo-Inositol + Orthophosphate1D-myo-inositol 1-phosphate phosphohydrolase

Table of KEGG human pathways containing Myo-inositol

Pathway IDHuman Pathway# of reactions
hsa00562 Inositol phosphate metabolism 5
hsa04070 Phosphatidylinositol signaling system 4
hsa00052 Galactose metabolism 1
hsa00053 Ascorbate and aldarate metabolism 1
hsa00564 Glycerophospholipid metabolism 1
hsa01100 Metabolic pathways 1