| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:43 UTC |
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| Update Date | 2025-03-21 18:41:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133433 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C14H24N2O10S |
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| Molecular Mass | 412.1152 |
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| SMILES | CC(=O)NC1C(O)CC(SCC(N)C(=O)O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | KUUCAQWPOWMYNS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesmonothioketalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidmonothioacetalorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativessulfenyl compoundcarboxamide groupoxacyclesecondary carboxylic acid amidepyrancysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundmonothioketal |
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