| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:38 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170736 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O3S |
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| Molecular Mass | 293.0834 |
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| SMILES | CC(=O)NC(CCSc1nc2ccccc2[nH]1)C(=O)O |
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| InChI Key | RHQNZXRFERXYEL-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkylarylthioethersalpha amino acidsazacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsfatty acylsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolesulfenyl compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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