Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:19:35 UTC
Update Date2025-03-24 21:35:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01824300
Frequency0.7
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCN(C)CC(=O)CCO
InChI KeyBLMKTYMFSJVSQJ-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
  • alcohols and polyols
  • alpha-amino ketones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • tertiary aliphatic amine
  • organic oxide
  • alpha-aminoketone
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine