Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:44:50 UTC
Update Date2025-03-24 20:27:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01453669
Frequency0.9
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESCC1=CCSC(C)(C)O1
InChI KeyVDKARNMETZVLRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioacetals
Subclass monothioacetals
Direct Parent monothioketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • oxathiins
  • Substituents
  • oxacycle
  • organic oxygen compound
  • 1,3-oxathiin
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • monothioketal
  • organoheterocyclic compound
  • organooxygen compound