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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:43 UTC
Update Date2025-03-25 00:59:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239440
Frequency0.5
Structure
Chemical FormulaC17H29N3O7S
Molecular Mass419.1726
SMILESO=NSCC(NC(=O)CCCCCCCCCCC(=O)O)C(=O)NCC(=O)O
InChI KeyZWCWZIMUSDBBQA-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
  • cysteine and derivatives
  • dicarboxylic acids and derivatives
  • dipeptides
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • n-acyl amines
  • nitrosothiols
  • organic oxides
  • 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
  • nitrosothiol
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • organic s-nitroso compound
  • organic nitroso compound
  • sulfenyl compound
  • alpha-amino acid amide
  • carboxamide group
  • n-acyl-amine
  • n-acylglycine
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • cysteine or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • nitrosothiol-group