| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:17 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 | DMID02181449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O5S |
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| Molecular Mass | 217.9997 |
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| SMILES | O=C(O)CNC(=O)C1SC(=O)NC1=O |
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| InChI Key | YPVQIZHJOQKMFO-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsazacyclic compoundscarboxylic acidsdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiazolidinedionesthiazolidinesthiolactones |
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| Substituents | carbonyl groupcarboxylic acidthiazolidinedioneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidethiolactoneorganoheterocyclic compoundcarbonic acid derivativeazacyclecarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundthiazolidine |
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