Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:04 UTC
Update Date2025-03-21 17:56:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00004028
Frequency1419.5
Structure
Chemical FormulaC4H11NO
Molecular Mass89.0841
SMILESCCC(O)CN
InChI KeyKODLUXHSIZOKTG-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound