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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:01 UTC
Update Date2025-03-21 18:34:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100533
Frequency27.2
Structure
Chemical FormulaC12H21N3O6S
Molecular Mass335.1151
SMILESCSCCC(NC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)O
InChI KeyQMOSCLNJVKSHHU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyl glycines
  • alpha amino acid amides
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • fatty acids and conjugates
  • glutamic acid and derivatives
  • hydrocarbon derivatives
  • methionine and derivatives
  • monoalkylamines
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • peptides
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • fatty acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • alpha peptide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • n-acyl-alpha amino acid or derivatives
  • polypeptide
  • sulfenyl compound
  • alpha-amino acid amide
  • n-acyl-alpha-amino acid
  • dialkylthioether
  • glutamic acid or derivatives
  • carboxamide group
  • n-acyl-amine
  • n-acylglycine
  • n-substituted-alpha-amino acid
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • methionine or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound