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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:49 UTC
Update Date2025-03-21 18:37:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117177
Frequency22.4
Structure
Chemical FormulaC8H13NO4S
Molecular Mass219.0565
SMILESCC(O)C(O)C1CSCC(C(=O)O)=N1
InChI KeyAUKHRBGLULRROT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • dialkylthioether
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • 1,2-diol