Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:01 UTC
Update Date2025-03-21 18:36:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112814
Frequency23.5
Structure
Chemical FormulaC8H17NOS
Molecular Mass175.1031
SMILESCC(C)CC(=O)CSCCN
InChI KeyKFSLZEUWKSTXIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • ketone
  • organic oxide
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound