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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:08:45 UTC
Update Date2025-03-24 16:41:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00935430
Frequency1.5
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESCN=CCCC(C)=O
InChI KeyNUOOQMAOMPTDBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldimines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • aldimine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound