Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:12:21 UTC
Update Date2025-03-21 22:12:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00514315
Frequency3.3
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCC(O)C(C)C(=O)CN
InChI KeyPSZCEKCIGIJCHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound