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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:21 UTC
Update Date2025-03-25 00:54:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208941
Frequency0.5
Structure
Chemical FormulaC9H17NO2
Molecular Mass171.1259
SMILESCC(C)C(=O)C(N)CCCC=O
InChI KeyWLWWSDQSQFCGMT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • ketone
  • organic oxide
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound