Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:27:39 UTC
Update Date2025-03-24 17:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00980897
Frequency1.4
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESCSC1=C(C)CCC1=O
InChI KeyAHBSYAMJVBBCDT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass thioenol ethers
Direct Parent thioenol ethers
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • sulfenyl compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • organooxygen compound