Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:20:35 UTC
Update Date2025-03-21 19:11:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00252194
Frequency8.3
Structure
Chemical FormulaC8H17NO
Molecular Mass143.131
SMILESNCC1(O)CCCCCC1
InChI KeyZOIJDKLCFSGRFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • tertiary alcohol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • cyclic alcohol