| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:31 UTC |
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| Update Date | 2025-03-21 18:31:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084963 |
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| Frequency | 33.7 |
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| Structure | |
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| Chemical Formula | C6H11NO8S |
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| Molecular Mass | 257.0205 |
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| SMILES | NC(CCC(OS(=O)(=O)O)C(=O)O)C(=O)O |
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| InChI Key | FRUCCFQHZODHES-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 | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfated fatty acidssulfuric acid monoesters |
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| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidorganic sulfuric acid or derivativesorganic oxygen compoundsulfated fatty aciddicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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