Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:02:56 UTC
Update Date2025-03-24 22:28:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01209903
Frequency1.1
Structure
Chemical FormulaC5H11NO2
Molecular Mass117.079
SMILESNCC1(O)CC(O)C1
InChI KeyAYECOYSQBRMCIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • tertiary alcohol
  • cyclobutanol
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound