Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:03 UTC
Update Date2025-03-21 18:37:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115302
Frequency22.8
Structure
Chemical FormulaC5H12O2S
Molecular Mass136.0558
SMILESCC(CO)C(O)CS
InChI KeyWAAOQJFVRWLCJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • organosulfur compounds
  • primary alcohols
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organosulfur compound
  • primary alcohol
  • alkylthiol