| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:16 UTC |
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| Update Date | 2025-03-21 18:34:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101180 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C8H13NO9S |
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| Molecular Mass | 299.0311 |
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| SMILES | CC(=O)NC1C(=O)OC(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | CIIKSVNQPMDSEE-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 | 1,2-diolsacetamidesalkyl sulfatesalpha amino acid estersalpha amino acidsaminosaccharidescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupdelta valerolactonemonosaccharidelactonesaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanedelta_valerolactoneorganoheterocyclic compoundacetamide1,2-diolalcoholamino saccharideorganic sulfuric acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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