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Record Information
HMDB Statusexpected
Creation Date2024-02-21 06:29:08 UTC
Update Date2025-03-24 17:50:27 UTC
HMDB IDHMDB0060309
Metabolite Identification
DeepMet IDDMID00984624
Name(2R)-2-Hydroxy-2-methylbutanenitrile
Frequency1.4
Structure
Chemical FormulaC5H9NO
Molecular Mass99.0684
SMILESCCC(C)(O)C#N
InChI KeyVMEHOTODTPXCKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxynitriles
  • cyanohydrins
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • nitrile
  • cyanohydrin
  • tertiary alcohol
  • alpha-hydroxynitrile
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • carbonitrile