| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:12 UTC |
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| Update Date | 2025-03-25 00:47:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160640 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5N3O2S2 |
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| Molecular Mass | 190.9823 |
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| SMILES | Nc1nnc(SCC(=O)O)s1 |
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| InChI Key | VCSGMDCNEWVILV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfenyl compoundsthiadiazoles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkylarylthioethercarboxylic acid derivativearyl thioetherthiadiazoleorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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