| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:16 UTC |
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| Update Date | 2025-03-25 00:53:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199591 |
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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 | NC(=O)CCC(=O)OCOS(=O)(=O)O |
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| InChI Key | CNRLNZKNMBCCNL-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acid estersfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesfatty amidecarboxamide groupcarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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