Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:28:43 UTC
Update Date2025-03-21 20:56:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00410943
Frequency4.4
Structure
Chemical FormulaC5H10O2S
Molecular Mass134.0402
SMILESCC(C)(O)C(=O)CS
InChI KeyPUGXJNUFFRGDIA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organosulfur compound
  • alpha-hydroxy ketone
  • ketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • hydrocarbon derivative
  • alkylthiol