Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:42 UTC
Update Date2025-03-25 00:54:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209793
Frequency0.5
Structure
Chemical FormulaC6H13NO2S
Molecular Mass163.0667
SMILESCC(CO)C(=O)C(N)CS
InChI KeyFSIOLDWSXHEHNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • organosulfur compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol
  • alkylthiol