Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:08 UTC
Update Date2025-03-21 18:00:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029317
Frequency215.9
Structure
Chemical FormulaC7H14N2O2S
Molecular Mass190.0776
SMILESCSCCC(N)C(O)=NC(C)=O
InChI KeyOIRDKWJJMSJIEY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent n-acylimines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • Substituents
  • n-acylimine
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • organic 1,3-dipolar compound
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organooxygen compound