| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:46 UTC |
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| Update Date | 2025-03-21 18:33:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097517 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C7H11NO9S |
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| Molecular Mass | 285.0155 |
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| SMILES | O=C(O)CN1CC(O)C(O)C(OS(=O)(=O)O)C1=O |
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| InChI Key | BNBGCFYYEBXWJG-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesazacyclic compoundscarbonyl compoundscarboxylic acidsdelta lactamshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinonessecondary alcoholssulfuric acid monoesterstertiary carboxylic acid amides |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acidorganic oxidealkyl sulfatetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinonepiperidineorganoheterocyclic compound1,2-diolalcoholorganic sulfuric acid or derivativesazacyclecarboxamide groupdelta-lactammonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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