Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:42:03 UTC
Update Date2025-03-25 01:32:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02436974
Frequency0.5
Structure
Chemical FormulaC6H12OS
Molecular Mass132.0609
SMILESCSC(C)(C)CC=O
InChI KeyACLCZPCTIIRMGJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • organic oxide
  • alpha-hydrogen aldehyde
  • thioether
  • hydrocarbon derivative