| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:17 UTC |
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| Update Date | 2025-03-25 00:51:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188290 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO12S |
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| Molecular Mass | 375.0471 |
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| SMILES | CC(NC(=O)OC1OC(COS(=O)(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | OZWGKEMMUPGESZ-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfatesalpha amino acidscarbamate esterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharidesaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholcarbonic acid derivativeorganic sulfuric acid or derivativescarbamic acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholalanine or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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