Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:57 UTC
Update Date2025-03-21 17:57:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00006031
Frequency868.9
Structure
Chemical FormulaC4H9NO2S
Molecular Mass135.0354
SMILESNC(CS)CC(=O)O
InChI KeyUGPZHAXXEJECMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • thia fatty acids
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • organosulfur compound
  • beta amino acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound