Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:54 UTC
Update Date2025-03-21 18:00:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00026430
Frequency144.8
Structure
Chemical FormulaC8H17NO
Molecular Mass143.131
SMILESCNCC1(O)CCCCC1
InChI KeyYNLBXMDERUNHSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • secondary aliphatic amine
  • cyclohexanol
  • cyclic alcohol
  • secondary amine
  • tertiary alcohol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine