Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:34:34 UTC
Update Date2025-03-24 17:52:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00997410
Frequency1.4
Structure
Chemical FormulaC5H12N2O
Molecular Mass116.095
SMILESCN1CC(O)(CN)C1
InChI KeyDZIQWOFKGBGWOD-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-aminoalcohols
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • azetidine
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound