Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:32:14 UTC
Update Date2025-03-21 22:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00561665
Frequency2.9
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESNC1(O)CCCCC1
InChI KeyPVBLJPCMWKGTOH-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
  • hemiaminals
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • cyclohexanol
  • cyclic alcohol
  • hemiaminal
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • alkanolamine