Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:27:22 UTC
Update Date2025-03-25 00:17:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01270126
Frequency1.0
Structure
Chemical FormulaC5H9NOS
Molecular Mass131.0405
SMILESC=CC(=O)C(N)CS
InChI KeyLKHBHJPEQWJRNI-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
  • alkylthiols
  • enones
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alpha,beta-unsaturated ketone
  • organosulfur compound
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • primary aliphatic amine
  • organic nitrogen compound
  • alkylthiol
  • enone