Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:54:43 UTC
Update Date2025-03-21 20:07:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00330695
Frequency5.8
Structure
Chemical FormulaC8H17NO
Molecular Mass143.131
SMILESCNCC1CCC(O)CC1
InChI KeyMRADNXJAUPMFHQ-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
  • Substituents
  • secondary aliphatic amine
  • cyclohexanol
  • cyclic alcohol
  • secondary amine
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine