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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:34 UTC
Update Date2025-03-21 18:35:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104389
Frequency26.0
Structure
Chemical FormulaC10H13NO4S2
Molecular Mass275.0286
SMILESO=C(O)CCC1SCC2SCC(C(=O)O)=NC12
InChI KeyUGJDVUSHDOWZFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthienothiazines
Subclass thienothiazines
Direct Parent thienothiazines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • fatty acyls
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thia fatty acids
  • thiolanes
    • Substituents
  • thiolane
  • fatty acyl
  • ketimine
  • carbonyl group
  • carboxylic acid
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • thienothiazine
  • azacycle
  • dialkylthioether
  • organic 1,3-dipolar compound
  • thia fatty acid
  • organic oxygen compound
  • thioether
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound