Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:26:16 UTC
Update Date2025-03-21 23:17:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00689383
Frequency2.3
Structure
Chemical FormulaC7H16N2O
Molecular Mass144.1263
SMILESNCC1(N)CCC(O)CC1
InChI KeyJKBSFJNNMVIWAE-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • cyclohexanol
  • cyclic alcohol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound