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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:08 UTC
Update Date2025-03-25 01:00:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245103
Frequency0.5
Structure
Chemical FormulaC6H11NO4
Molecular Mass161.0688
SMILESCNC(C(=O)O)C(O)C(C)=O
InChI KeyWDTBMWHILKNOKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha-hydroxy ketones
  • amino acids
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • dialkylamines
  • fatty acyls
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • short-chain keto acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • monosaccharide
  • short-chain keto acid
  • alpha-hydroxy ketone
  • ketone
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • alcohol
  • secondary aliphatic amine
  • hydroxy acid
  • secondary amine
  • gamma-keto acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine