Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:46:04 UTC
Update Date2025-03-24 21:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01886670
Frequency0.6
Structure
Chemical FormulaC5H13NS
Molecular Mass119.0769
SMILESCC(C)C(S)CN
InChI KeyPWVXCZPMQFLUEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiols
Subclass alkylthiols
Direct Parent alkylthiols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • alkylthiol