Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:24:26 UTC
Update Date2025-03-24 20:18:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01405530
Frequency0.9
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCCC(N)(C=O)CC
InChI KeyPFPCQWVBIYCMQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organonitrogen compounds
Direct Parent organonitrogen compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • aldehyde
  • hydrocarbon derivative
  • primary aliphatic amine
  • organooxygen compound