| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:18 UTC |
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| Update Date | 2025-03-25 00:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO9S |
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| Molecular Mass | 299.0311 |
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| SMILES | O=C(O)CNC(=O)CCCC(=O)OCOS(=O)(=O)O |
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| InChI Key | JHNNOPLSMHJERJ-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidfatty amideorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativescarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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