Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:22:29 UTC
Update Date2025-03-24 16:48:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00968572
Frequency1.5
Structure
Chemical FormulaC6H9NO
Molecular Mass111.0684
SMILESCN1CC=CC(=O)C1
InChI KeyAHNGZWCYXJWDCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent trialkylamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • azacycle
  • tertiary aliphatic amine
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound