| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:56 UTC |
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| Update Date | 2025-03-25 00:47:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO7S |
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| Molecular Mass | 227.01 |
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| SMILES | CC(OS(=O)(=O)O)C(=O)C(N)C(=O)O |
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| InChI Key | FUFSNFQCHPAPKF-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 | 1,3-dicarbonyl compoundsalkyl sulfatesalpha amino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivativessulfuric acid monoesters |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain keto acidalpha-amino acid or derivativescarboxylic acid derivativebeta-keto acidketoneorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativesmethyl-branched fatty acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidketo acidsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundsulfuric acid esterorganooxygen compound |
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