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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:33 UTC
Update Date2025-03-25 01:01:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252897
Frequency0.5
Structure
Chemical FormulaC17H16N2O2S2
Molecular Mass344.0653
SMILESNC(CCSC1=Nc2ccccc2Sc2ccccc21)C(=O)O
InChI KeyFWWZSANXYWMADL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • diarylthioethers
  • fatty acyls
  • hydrocarbon derivatives
  • imidothiolactones
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • thia fatty acids
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • diarylthioether
  • sulfenyl compound
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • imidothiolactone
  • organooxygen compound