| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:08 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190223 |
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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 | CC(=O)NC(CC(=O)O)OS(=O)(=O)O |
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| InChI Key | GHBXUSIJBXPLBL-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esteracetamideorganooxygen compound |
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