| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:00 UTC |
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| Update Date | 2025-03-21 18:35:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107926 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C10H17NO7S |
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| Molecular Mass | 295.0726 |
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| SMILES | CC(=O)NC(CSC1OC(CO)C(O)C1O)C(=O)O |
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| InChI Key | MNQGSFXRUHAGMP-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundmonothioacetalsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundacetamidealcoholsulfenyl compoundn-acyl-alpha-amino acidtetrahydrofurancarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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