Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:20:07 UTC
Update Date2025-03-21 19:11:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00251127
Frequency8.3
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESC=CC1(O)CCN(C)C1
InChI KeyKEDXBLSLZCLFSC-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
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • tertiary alcohol
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound