Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:00:44 UTC
Update Date2025-03-25 01:40:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02480979
Frequency0.5
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESCC(=O)CC1(O)CNC1
InChI KeyLALZBRIXNFHHCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • azetidine
  • tertiary alcohol
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine