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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:02 UTC
Update Date2025-03-21 18:35:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105499
Frequency25.6
Structure
Chemical FormulaC12H24N2O3S
Molecular Mass276.1508
SMILESCCCCCC(N=C(O)C(N)CCSC)C(=O)O
InChI KeyXGDXUEBXXWZOSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • organosulfur compound
  • medium-chain hydroxy acid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • sulfenyl compound
  • dialkylthioether
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound