Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:05:42 UTC
Update Date2025-03-24 21:01:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01647518
Frequency0.8
Structure
Chemical FormulaC6H8O2S
Molecular Mass144.0245
SMILESCC(=O)C1=C(C)SCO1
InChI KeyOYENAVIOEITICE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous thioesters
Subclass vinylogous thioesters
Direct Parent vinylogous thioesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • monothioacetals
  • organic oxides
  • oxacyclic compounds
  • thioenol ethers
  • Substituents
  • vinylogous thioester
  • carbonyl group
  • ketone
  • monothioacetal
  • oxacycle
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound