| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:20 UTC |
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| Update Date | 2025-03-25 01:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250167 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O3S |
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| Molecular Mass | 292.0882 |
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| SMILES | CSCCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)O |
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| InChI Key | DPWVVNUFSDKJMV-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativesindolecarboxylic acids and derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindoleorganosulfur compound2-heteroaryl carboxamideorganic oxidepyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrole-2-carboxamideorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesindolecarboxylic acid derivativesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherpyrrolemethionine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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