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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:02 UTC
Update Date2025-03-21 18:04:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048226
Frequency68.8
Structure
Chemical FormulaC7H15NO7
Molecular Mass225.0849
SMILESNC(C(=O)O)C(O)C(O)C(O)C(O)CO
InChI KeyKITIHSGWGNRLMV-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
  • amino fatty acids
  • aminosaccharides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • fatty acid
  • medium-chain hydroxy acid
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • primary alcohol
  • alcohol
  • amino saccharide
  • hydroxy acid
  • amino fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound