| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:20 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202023 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O3S |
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| Molecular Mass | 294.1038 |
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| SMILES | CSCCC(NC(=O)N1Cc2ccccc2C1)C(=O)O |
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| InChI Key | AAZLLAJDANYENE-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideisoindolinearomatic heteropolycyclic compoundn-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativesulfenyl compoundazacycleisoindoledialkylthioethern-carbamoyl-alpha-amino acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherisoindole or derivativesmethionine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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