Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:55:52 UTC
Update Date2025-03-24 20:32:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01479700
Frequency0.9
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESC=C(CC)NCCO
InChI KeyVHXMWDUQLMZZAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent alkanolamines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • alkanolamine