Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:37:46 UTC
Update Date2025-03-21 19:59:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00291565
Frequency6.9
Structure
Chemical FormulaC6H9NO
Molecular Mass111.0684
SMILESCN1CCCC1=C=O
InChI KeyZOQPNBTVSSREKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • ynolates
  • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • organic oxide
  • organic oxygen compound
  • ynolate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound