| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:10 UTC |
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| Update Date | 2025-03-25 00:55:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210946 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H26N4O4S |
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| Molecular Mass | 466.1675 |
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| SMILES | CC(=O)NC(CCC(=O)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1)C(=O)O |
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| InChI Key | ZGGYAVFTQFPNJY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzothiazepines |
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| Subclass | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiarylthioethersglutamine and derivativeshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspiperazinespropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidglutamine or derivativesalpha-amino acid or derivativesamidinecarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamacetamidediarylthioethern-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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