Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:27:15 UTC
Update Date2025-03-24 20:19:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01412421
Frequency0.9
Structure
Chemical FormulaC5H10O2S
Molecular Mass134.0402
SMILESCSC(=O)C(C)(C)O
InChI KeyHRVRZADARGUTKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbothioic s-esters
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • thioesters
  • thiolactones
  • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • sulfenyl compound
  • thiocarboxylic acid ester
  • organosulfur compound
  • carboxylic acid derivative
  • carbothioic s-ester
  • tertiary alcohol
  • organic oxide
  • hydrocarbon derivative
  • thiolactone