| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:09 UTC |
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| Update Date | 2025-03-21 18:31:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084134 |
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| Frequency | 43.7 |
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| Structure | |
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| Chemical Formula | C7H10N2O4S |
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| Molecular Mass | 218.0361 |
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| SMILES | O=C(O)CNC(=O)C1CSCC(=O)N1 |
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| InChI Key | QSXTYMDWIUISDJ-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdipeptideshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiomorpholines |
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| Substituents | carbonyl grouplactamcarboxylic acidalpha peptideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,4-thiazinaneazacycledialkylthioethercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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