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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:20 UTC
Update Date2025-03-25 01:01:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250157
Frequency0.5
Structure
Chemical FormulaC13H22N2O6S
Molecular Mass334.1199
SMILESCSCCC(NC(=O)CCC(C)C(=O)O)C(=O)NCC(=O)O
InChI KeyREVSPDWCMAFSCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent acyl glycines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • dipeptides
  • hydrocarbon derivatives
  • methionine and derivatives
  • methyl-branched fatty acids
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • fatty acid
  • organosulfur compound
  • alpha peptide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • methyl-branched fatty acid
  • sulfenyl compound
  • alpha-amino acid amide
  • dialkylthioether
  • carboxamide group
  • branched fatty acid
  • n-acyl-amine
  • n-acylglycine
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • methionine or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound