Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:38:34 UTC
Update Date2025-03-24 17:54:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01006856
Frequency1.4
Structure
Chemical FormulaC7H16N2O
Molecular Mass144.1263
SMILESNCC1CCC(O)(CN)C1
InChI KeyAYUJVSPMDVTWCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclopentanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • cyclic alcohol
  • cyclopentanol
  • tertiary alcohol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound