Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:22:33 UTC
Update Date2025-03-24 20:17:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01400874
Frequency0.9
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESNCC(=O)CC1CC1
InChI KeyYOQFMSBXAJNJJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • ketone
  • organic oxide
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound