Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:34:37 UTC
Update Date2025-03-21 21:52:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00425378
Frequency4.2
Structure
Chemical FormulaC5H10OS
Molecular Mass118.0452
SMILESC[SH]=C(C)C(C)=O
InChI KeyDABOBVIKPRGCET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiocarbonyl compounds
Subclass thioketones
Direct Parent thioketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organosulfur compounds
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • thioketone
  • hydrocarbon derivative
  • alkylthiol
  • organooxygen compound