Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:44:38 UTC
Update Date2025-03-24 17:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01021361
Frequency1.4
Structure
Chemical FormulaC5H8O2S
Molecular Mass132.0245
SMILESCC1(C)CC(=O)OS1
InChI KeyFPPRBEDOVLPUDQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxathiolanes
Subclass oxathiolanes
Direct Parent oxathiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • oxathiolane
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound