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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:51 UTC
Update Date2025-03-21 17:58:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00015090
Frequency289.5
Structure
Chemical FormulaC5H9NO5
Molecular Mass163.0481
SMILESNCC(O)(CC(=O)O)C(=O)O
InChI KeyRLPCZCVKDZZNBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • tertiary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • alpha-hydroxy acid
  • fatty acid
  • hydroxy acid
  • branched fatty acid
  • beta amino acid or derivatives
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound