| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:11 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240519 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O5S |
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| Molecular Mass | 275.0576 |
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| SMILES | NC(CSCC(=O)C1CC(=O)NC(=O)N1)C(=O)O |
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| InChI Key | SUQKLSDBPIGHEK-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarboxylic acidsdialkylthioethersdiazinanesdicarboximideshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidpyrimidoneorganosulfur compoundpyrimidineketone1,3-diazinaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideureideorganoheterocyclic compoundn-acyl ureacarbonic acid derivativesulfenyl compoundazacycledialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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