Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:55:00 UTC
Update Date2025-03-24 14:38:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00902343
Frequency1.6
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCC=CCC(O)CN
InChI KeyXHBZBJKAHIUMLC-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