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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:10:47 UTC
Update Date2025-03-24 20:38:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01515871
Frequency0.8
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCNCC(=O)C(C)(C)O
InChI KeyFGDWZNRCBYFLIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • alpha-hydroxy ketone
  • ketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine