Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:28:22 UTC
Update Date2025-03-21 22:19:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00552398
Frequency3.0
Structure
Chemical FormulaC7H11NO
Molecular Mass125.0841
SMILESN#CC1(O)CCCCC1
InChI KeyZDBRPNZOTCHLSP-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
  • alpha-hydroxynitriles
  • cyanohydrins
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • nitrile
  • cyclohexanol
  • cyanohydrin
  • cyclic alcohol
  • tertiary alcohol
  • alpha-hydroxynitrile
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • carbonitrile