Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:51 UTC
Update Date2025-03-25 00:58:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230661
Frequency0.5
Structure
Chemical FormulaC7H13NO4S
Molecular Mass207.0565
SMILESCN(CC(=O)O)C1CCS(=O)(=O)C1
InChI KeyYKGBSBFRRDPBPB-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 heteromonocyclic compounds
Alternative Parents
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfones
  • thiolanes
  • trialkylamines
  • Substituents
  • thiolane
  • carbonyl group
  • carboxylic acid
  • amino acid
  • tertiary aliphatic amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound
  • sulfone