Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:17:11 UTC
Update Date2025-03-24 22:00:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01960004
Frequency0.6
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESNC1C=CCC(O)C1N
InChI KeyORBODEARZGPVKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound