| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:14 UTC |
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| Update Date | 2025-03-25 00:51:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188150 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N2O10S2 |
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| Molecular Mass | 404.0559 |
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| SMILES | CC(=O)NC1C(SCC(N)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1O |
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| InChI Key | WMQMWSSHBDYHDB-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundmonothioacetalsaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholorganic sulfuric acid or derivativessulfenyl compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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