Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:49 UTC
Update Date2025-03-21 17:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00005718
Frequency924.4
Structure
Chemical FormulaC6H12NO3+
Molecular Mass146.0812
SMILESC[N+](C)(C)CC(=O)C(=O)O
InChI KeyFMASNLONHHPDQW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass alpha-keto acids and derivatives
Direct Parent alpha-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-amino ketones
  • alpha-hydroxy ketones
  • amines
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-aminoketone
  • organonitrogen compound
  • alpha-keto acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound