Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:38:21 UTC
Update Date2025-03-24 17:54:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01006348
Frequency1.4
Structure
Chemical FormulaC5H13NO2
Molecular Mass119.0946
SMILESCOCCC(O)CN
InChI KeyATENZYXJBIZWHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • ether
  • dialkyl ether
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound