| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:33 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152422 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H13NO7S2 |
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| Molecular Mass | 275.0133 |
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| SMILES | NC(CCSCC(O)OS(=O)(=O)O)C(=O)O |
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| InChI Key | FWAGCIGQXNMHDH-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 | sulfated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundssulfuric acid monoestersthia fatty acids |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganic sulfuric acid or derivativessulfenyl compounddialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfated fatty acidthioethersulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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