| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:41 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7NO4S |
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| Molecular Mass | 189.0096 |
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| SMILES | O=C(O)C(=O)CC1SCNC1=O |
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| InChI Key | QMDICFFTKHBEBK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-keto acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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