Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:02 UTC
Update Date2025-03-25 00:55:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210588
Frequency0.5
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESCC(=O)C1(O)CNC1
InChI KeyDAFDTODEOCJEPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • dialkylamines
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • secondary amine
  • ketone
  • azetidine
  • tertiary alcohol
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine