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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:51:37 UTC
Update Date2025-03-24 14:04:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00750422
Frequency2.0
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCNC(C)(C)C(C)=O
InChI KeyKLAVOSFNFTWCFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine