Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:41:14 UTC
Update Date2025-03-21 20:00:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00299403
Frequency6.6
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESC=CCSCC(=O)C=C
InChI KeyTXFYIWAVTCTWSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • dialkylthioethers
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • allyl sulfur compound
  • alpha,beta-unsaturated ketone
  • organosulfur compound
  • ketone
  • organic oxide
  • thioether
  • hydrocarbon derivative
  • acryloyl-group
  • enone