Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:39:44 UTC
Update Date2025-03-21 20:00:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00296079
Frequency6.7
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESNCC(=O)CCCCO
InChI KeyVGBXCNXSWFJQQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound