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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:50 UTC
Update Date2025-03-21 18:35:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105042
Frequency25.7
Structure
Chemical FormulaC6H11NO5
Molecular Mass177.0637
SMILESNCC(CC(O)C(=O)O)C(=O)O
InChI KeyOKAAUGZQJNNRRU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent delta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • beta amino 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
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • alpha-hydroxy acid
  • fatty acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • delta amino acid or derivatives
  • hydroxy fatty acid
  • alcohol
  • hydroxy acid
  • branched fatty acid
  • beta amino acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound