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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:39 UTC
Update Date2025-03-21 18:40:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128625
Frequency19.8
Structure
Chemical FormulaC10H18N2O5S
Molecular Mass278.0936
SMILESCSCCC(=O)NC(CCC(N)C(=O)O)C(=O)O
InChI KeyAVONUSDSFLKQGR-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
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • organosulfur compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • sulfenyl compound
  • n-acyl-alpha-amino acid
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound