| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:17 UTC |
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| Update Date | 2025-03-21 18:37:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118324 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C8H13NO4S |
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| Molecular Mass | 219.0565 |
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| SMILES | CSCCC(NC(C)=O)C(=O)C(=O)O |
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| InChI Key | BOODQHHVOWOOIZ-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 | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundacetamidesulfenyl compounddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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