Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:15:19 UTC
Update Date2025-03-24 20:14:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01384054
Frequency0.9
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCNCC1(O)CCC1
InChI KeyJCUCUOPMRFMUGM-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
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • secondary amine
  • tertiary alcohol
  • cyclobutanol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine