| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:53 UTC |
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| Update Date | 2025-03-21 18:36:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110056 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C6H7NO3S |
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| Molecular Mass | 173.0147 |
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| SMILES | CC(=O)NC1C(=O)CSC1=O |
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| InChI Key | WYWWPWGOWIIBRP-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacetamidesalpha amino acidscarbothioic s-lactonescarboxylic acids and derivativescyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioestersthiolactonesthiolanes |
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| Substituents | thiolanecarbonyl groupcyclic ketoneketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneorganoheterocyclic compoundacetamidecarbothioic s-lactonethiocarboxylic acid or derivativesn-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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