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(O)(CC(O)=O)CC(O)=O
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
InChIInChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyNPOAOTPXWNWTSH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Pubchem CID1662
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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