| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:53 UTC |
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| Update Date | 2025-03-25 00:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO6S |
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| Molecular Mass | 279.0777 |
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| SMILES | NCCSCC(CCC(=O)O)(CC(=O)O)C(=O)O |
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| InChI Key | SJOZWRYXBYFCAN-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethertricarboxylic acid or derivativesorganosulfur compoundorganic oxidethia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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