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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:33:32 UTC
Update Date2025-03-24 13:58:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00706828
Frequency2.2
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESCNCC(=O)CC(C)=O
InChI KeyNYAIGSFJWZNSJU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine