| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:37 UTC |
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| Update Date | 2025-03-21 18:35:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104518 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C6H9NO9S |
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| Molecular Mass | 270.9998 |
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| SMILES | O=C(O)CCC(NC(=O)OS(=O)(=O)O)C(=O)O |
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| InChI Key | LYQGKYOZUZFJRK-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarbonic acid derivativecarboxylic acidorganic sulfuric acid or derivativesfatty acidglutamic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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