Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:35 UTC
Update Date2025-03-25 00:45:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150152
Frequency0.5
Structure
Chemical FormulaC3H7NO5S
Molecular Mass169.0045
SMILESCOC(=O)CNS(=O)(=O)O
InChI KeyKDDWMISIWJKUSD-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
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfuric acid monoamides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic sulfuric acid or derivatives
  • alpha-amino acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • alpha-amino acid
  • sulfuric acid monoamide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound