| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:28 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152223 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N4O3S |
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| Molecular Mass | 216.0317 |
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| SMILES | NC(CSc1nc[nH]c(=O)n1)C(=O)O |
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| InChI Key | JBHMMUPNCMWNOB-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl-2-thio-s-triazinesalkylarylthioethersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstriazinones |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhalo-s-triazinecysteine or derivativestriazinehydrocarbon derivative1,3,5-triazineprimary aliphatic amineorganic nitrogen compoundalkyl-2-thio-s-triazinetriazinoneorganooxygen compound |
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