Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:53:08 UTC
Update Date2025-03-21 22:00:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00468994
Frequency3.7
Structure
Chemical FormulaC6H15NO
Molecular Mass117.1154
SMILESCNCC(C)C(C)O
InChI KeyZCDYTNJLYJCPPO-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
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine