RefMet Compound Details

MW structure37215 (View MW Metabolite Database details)
RefMet name3-Hydroxymethylglutaric acid
Alternative nameFA 10:0
Systematic name3-hydroxy-3-methylpentanedioic acid
SMILESCC(CC(=O)O)(CC(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 6:1;O3 View other entries in RefMet with this sum composition
Exact mass162.052825 (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
FormulaC6H10O5View other entries in RefMet with this formula
InChIKeyNPOAOTPXWNWTSH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Pubchem CID1662
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)