Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:52 UTC
Update Date2025-03-21 18:40:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129127
Frequency19.7
Structure
Chemical FormulaC7H12O2S
Molecular Mass160.0558
SMILESCCCC=CC=CS(=O)O
InChI KeyJBMCMHYMTZECNJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classsulfinic acids and derivatives
Subclass sulfinic acids
Direct Parent sulfinic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organosulfur compound
  • sulfinic acid