Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:34 UTC
Update Date2025-03-25 00:58:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230024
Frequency0.5
Structure
Chemical FormulaC18H29NOS
Molecular Mass307.197
SMILESCCCCCC=CCC=CC=CC=CC(=O)CSCCN
InChI KeyFRIRPAWTMPEVSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • enones
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • alpha,beta-unsaturated ketone
  • organosulfur compound
  • ketone
  • organic oxide
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • primary aliphatic amine
  • organic nitrogen compound
  • enone