| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:16 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O3S |
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| Molecular Mass | 279.0678 |
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| SMILES | O=C(O)CNC(=O)CCSc1nc2ccccc2[nH]1 |
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| InChI Key | NJSCIPIPLFRRSB-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsazacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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