| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:59 UTC |
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| Update Date | 2025-03-21 18:33:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095584 |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C10H17NO4S |
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| Molecular Mass | 247.0878 |
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| SMILES | NCCSC1CC(O)C=CC1(O)CC(=O)O |
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| InChI Key | GPUUJIISLJXKMA-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 homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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