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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:30 UTC
Update Date2025-03-25 00:53:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202374
Frequency0.5
Structure
Chemical FormulaC7H14N2O3S
Molecular Mass206.0725
SMILESCSCCC(O)C(=O)N=C(O)CN
InChI KeyMGHPMHOSDYCVHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • n-acylimines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • sulfenyl compounds
    • Substituents
  • n-acylimine
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • monosaccharide
  • organic 1,3-dipolar compound
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • thioether
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound