| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:28 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152203 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N2O9S |
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| Molecular Mass | 356.089 |
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| SMILES | NC(CSOC1OC(CO)C(O)C(O)C1O)C(=O)NCC(=O)O |
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| InChI Key | PGFYXGMKJQYLOA-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 | acyl glycines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganic thioperoxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganic thioperoxidemonosaccharideorganosulfur compoundalpha peptidesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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