Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:10:03 UTC
Update Date2025-03-24 19:55:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01081329
Frequency1.3
Structure
Chemical FormulaC4H8O2S
Molecular Mass120.0245
SMILESCC(O)(C=O)CS
InChI KeyJYONAOTWOVWUGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • alpha-hydroxyaldehydes
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • aldehyde
  • organosulfur compound
  • tertiary alcohol
  • organic oxide
  • alpha-hydroxyaldehyde
  • hydrocarbon derivative
  • alkylthiol