Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:42 UTC
Update Date2025-03-21 17:59:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00019117
Frequency215.0
Structure
Chemical FormulaC4H11NO2
Molecular Mass105.079
SMILESCC(O)(CN)CO
InChI KeyRBOBRXOSWNUVEJ-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