| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:13 UTC |
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| Update Date | 2025-03-21 18:33:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093743 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C5H9NO8S |
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| Molecular Mass | 243.0049 |
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| SMILES | NC(CC(=O)OCOS(=O)(=O)O)C(=O)O |
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| InChI Key | YCTCWAZWKQEUJT-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 | aspartic acid and derivatives |
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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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfated fatty acidssulfuric acid monoesters |
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| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativesfatty acid esterorganic oxygen compoundsulfated fatty acidcarboxylic acid esteraspartic acid or derivativesdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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