Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:45 UTC
Update Date2025-03-25 00:57:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226050
Frequency0.5
Structure
Chemical FormulaC9H16N2O3S
Molecular Mass232.0882
SMILESCC(=O)NCCSC(NC(C)=O)C(C)=O
InChI KeyUXOIRGJPCAQABX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiohemiaminal derivatives
Subclass n,s-acetals
Direct Parent n,s-acetals
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • n,s-acetal
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound