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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:36 UTC
Update Date2025-03-25 00:51:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184367
Frequency0.5
Structure
Chemical FormulaC10H16N2O8S2
Molecular Mass356.0348
SMILESNC(CSSCC(NC(=O)C(O)C(O)C=O)C(=O)O)C(=O)O
InChI KeyXCWDXOWZRBROJR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha amino acids
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • cysteine and derivatives
  • dialkyldisulfides
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • monosaccharide
  • organosulfur compound
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 1,2-diol
  • alcohol
  • sulfenyl compound
  • n-acyl-alpha-amino acid
  • aldehyde
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • dialkyldisulfide
  • organic oxygen compound
  • organic disulfide
  • cysteine or derivatives
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound