Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:41:48 UTC
Update Date2025-03-21 21:55:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00442386
Frequency4.0
Structure
Chemical FormulaC4H9NO2
Molecular Mass103.0633
SMILESCC(O)(C=O)CN
InChI KeyMFGPRSORASBMJS-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
  • alpha-hydroxyaldehydes
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • aldehyde
  • tertiary alcohol
  • organic oxide
  • alpha-hydroxyaldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound