| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:22 UTC |
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| Update Date | 2025-03-21 18:28:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070226 |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C6H13NO3S |
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| Molecular Mass | 179.0616 |
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| SMILES | NCCSCC(CO)C(=O)O |
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| InChI Key | YICIKCJYFAKYCF-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssulfenyl compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholorganooxygen compound |
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