Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:32:55 UTC
Update Date2025-03-24 17:51:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00993487
Frequency1.4
Structure
Chemical FormulaC5H13NO2
Molecular Mass119.0946
SMILESCCC(O)(CN)CO
InChI KeyBASYVVNWXUIVJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • tertiary alcohol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,2-diol