Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:30 UTC
Update Date2025-03-21 18:35:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104203
Frequency26.0
Structure
Chemical FormulaC8H16N2O4S
Molecular Mass236.0831
SMILESCOC(=O)C(N)CSCCC(N)C(=O)O
InChI KeyFHTGRPUPUJRFLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • cysteine and derivatives
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • sulfenyl compounds
  • thia fatty acids
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • organosulfur compound
  • organic oxide
  • methyl ester
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • sulfenyl compound
  • alpha-amino acid ester
  • dialkylthioether
  • thia fatty acid
  • organic oxygen compound
  • thioether
  • cysteine or derivatives
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound