| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:05 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178733 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H36N2O25S3 |
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| Molecular Mass | 812.0769 |
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| SMILES | COC1C(C(=O)O)OC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(O)C(O)OC(COS(=O)(=O)O)C3O)C2NC(C)=O)C(NS(=O)(=O)O)C1O |
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| InChI Key | CZVWIUKOTVTFMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalkyl sulfatescarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ethern-acyl-alpha-hexosamineorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldelta amino acid or derivativesoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransulfuric acid monoamidesecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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