Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:59 UTC
Update Date2025-03-21 18:35:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105413
Frequency25.6
Structure
Chemical FormulaC6H13NO3S
Molecular Mass179.0616
SMILESCOC(=O)C(N)CCS(C)=O
InChI KeyKWEJHUFCEXDKPM-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
  • fatty acid esters
  • hydrocarbon derivatives
  • methyl esters
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • sulfoxides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • alpha-amino acid ester
  • organosulfur compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • sulfinyl compound
  • carboxylic acid ester
  • organonitrogen compound
  • sulfoxide
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound