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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:03 UTC
Update Date2025-03-25 00:52:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196731
Frequency0.5
Structure
Chemical FormulaC6H13NO4
Molecular Mass163.0845
SMILESCCC(O)(C(=O)O)C(O)CN
InChI KeyCZGNZFULJYKYAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent gamma amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha hydroxy acids and derivatives
  • beta hydroxy acids and derivatives
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • tertiary alcohols
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • gamma amino acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydroxy fatty acid
  • 1,2-diol
  • alcohol
  • hydroxy acid
  • branched fatty acid
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound