Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:09 UTC
Update Date2025-03-21 18:41:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136694
Frequency18.3
Structure
Chemical FormulaC7H15NO
Molecular Mass129.1154
SMILESCCCC=CC(O)CN
InChI KeyIWBZSPCFSFRKHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound