Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:00:53 UTC
Update Date2025-03-24 20:08:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01349344
Frequency1.0
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCC(O)(CO)C1CNC1
InChI KeyQIISJURSHUPLBJ-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
  • 1,2-diols
  • azacyclic compounds
  • azetidines
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • azetidine
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine
  • 1,2-diol