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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:26 UTC
Update Date2025-03-25 00:54:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206780
Frequency0.5
Structure
Chemical FormulaC23H25N3O3S
Molecular Mass423.1617
SMILESO=C(O)C(=O)CCCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
InChI KeyLQWWMBRTJQBSFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • amidines
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • diarylthioethers
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • imidolactams
  • medium-chain keto acids and derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • amidine
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • dibenzothiazepine
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-keto acid
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • diarylthioether
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • 1,4-diazinane
  • keto acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • medium-chain keto acid