Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:20:19 UTC
Update Date2025-03-24 20:16:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01395702
Frequency0.9
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESCN1CCC(O)(C=O)C1
InChI KeyXUIGPIHGQLAQLR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • carbonyl group
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aldehyde
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound