Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:28:52 UTC
Update Date2025-03-24 21:12:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01703436
Frequency0.7
Structure
Chemical FormulaC4H11NOS
Molecular Mass121.0561
SMILESCC(O)(CN)CS
InChI KeyHNVDHMSCZGWXHK-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
  • alkylthiols
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • organosulfur compound
  • tertiary alcohol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • alkylthiol