Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:39:16 UTC
Update Date2025-03-25 01:31:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02430383
Frequency0.5
Structure
Chemical FormulaC5H14OS
Molecular Mass122.0765
SMILESCC(O)C[SH](C)C
InChI KeyKMEBHBGQXCTKRT-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
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organosulfur compound
  • alkylthiol