Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:15:53 UTC
Update Date2025-03-21 22:13:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00522667
Frequency3.2
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESNCC1CC=CC(O)C1
InChI KeyWHLJJRZOYYVXTB-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