Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:51:09 UTC
Update Date2025-03-24 17:59:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01036987
Frequency1.3
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCCC(C)(N)C(C)=O
InChI KeyPOTNYRMQXLSHQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound