| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:40 UTC |
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| Update Date | 2025-03-21 18:30:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082968 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C7H11NO4S |
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| Molecular Mass | 205.0409 |
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| SMILES | CC(=O)NCCSCC(=O)C(=O)O |
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| InChI Key | YFNWLWGINLZDFB-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 | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxy ketonescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupalpha-hydroxy ketonecarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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