Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:13:15 UTC
Update Date2025-03-24 21:04:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01665745
Frequency0.7
Structure
Chemical FormulaC6H10OS
Molecular Mass130.0452
SMILESC=CC[SH]=C(C)C=O
InChI KeyLGCKKIYUCNILRY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiocarbonyl compounds
Subclass thioketones
Direct Parent thioketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • alkylthiols
  • allyl sulfur compounds
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • allyl sulfur compound
  • thioketone
  • aldehyde
  • hydrocarbon derivative
  • alkylthiol
  • organooxygen compound