| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:10 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O4S2 |
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| Molecular Mass | 357.0817 |
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| SMILES | NC(CCSCCCNC1=NS(=O)(=O)c2ccccc21)C(=O)O |
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| InChI Key | AJGKRCIXYKOWRR-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundsbenzenoidsbenzothiazolescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamidineorganosulfur compound1,2-benzothiazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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