Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:47:13 UTC
Update Date2025-03-25 00:25:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01316439
Frequency1.0
Structure
Chemical FormulaC5H6O2S
Molecular Mass130.0088
SMILESO=CC=C1OCCS1
InChI KeyVPBSEQIKRJUDDG-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
  • aldehydes
  • hydrocarbon derivatives
  • monothioacetals
  • organic oxides
  • oxacyclic compounds
  • oxathiolanes
  • vinylogous esters
  • Substituents
  • vinylogous thioester
  • carbonyl group
  • oxathiolane
  • vinylogous ester
  • aldehyde
  • monothioacetal
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound