| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:14 UTC |
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| Update Date | 2025-03-21 18:06:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062719 |
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| Frequency | 49.4 |
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| Structure | |
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| Chemical Formula | C5H7NO9S |
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| Molecular Mass | 256.9842 |
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| SMILES | O=C(O)CC(NC(=O)OS(=O)(=O)O)C(=O)O |
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| InChI Key | DDRHILZKTCTPMB-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 | 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 acidorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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