| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:42 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202829 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2O5S |
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| Molecular Mass | 234.031 |
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| SMILES | O=C(O)CSC1CC(C(=O)O)NC(=O)N1 |
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| InChI Key | QKXVSJDULWPSTE-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdiazinanesdicarboxylic acids and derivativeshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessulfenyl compoundsthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidpyrimidoneorganosulfur compoundpyrimidine1,3-diazinaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativesulfenyl compoundazacycledialkylthioetherorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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