| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:47 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O9S |
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| Molecular Mass | 300.0264 |
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| SMILES | NC(=O)NC1C(=O)OC(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | ZIOMEJNYUVWXNR-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 | alpha amino acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesalpha amino acidsaminosaccharidescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupdelta valerolactonemonosaccharidelactonesaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanedelta_valerolactoneorganoheterocyclic compound1,2-diolalcoholamino saccharidecarbonic acid derivativeorganic sulfuric acid or derivativesalpha-amino acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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