| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:16 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220485 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25N3O6S |
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| Molecular Mass | 435.1464 |
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| SMILES | CSCCC(NC(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | QWKYLEHDKIKJLE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmethionine and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesindolefatty amidealpha-amino acid or derivativesorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioetherpyrrolemethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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