| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202419 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17N2O3S+ |
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| Molecular Mass | 221.0954 |
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| SMILES | C[N+](C)(C)C(N)CSCC(=O)C(=O)O |
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| InChI Key | LYYXIRSPPPXVKV-UHFFFAOYSA-O |
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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 | alpha-hydroxy ketonesaminalscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssulfenyl compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidaminalorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic cationorganic saltsulfenyl compoundtetraalkylammonium saltdialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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