Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:57:45 UTC
Update Date2025-03-25 01:39:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02473773
Frequency0.5
Structure
Chemical FormulaC5H12N2O
Molecular Mass116.095
SMILESNCC1(N)CC(O)C1
InChI KeyPLXPWTOCDGXNFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • cyclobutanol
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound