Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:10:41 UTC
Update Date2025-03-21 22:11:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00510531
Frequency3.3
Structure
Chemical FormulaC4H10N2O
Molecular Mass102.0793
SMILESNCC1(O)CNC1
InChI KeyTUWKROJQFCRRPG-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
  • monoalkylamines
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • azetidine
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine