| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:42:21 UTC |
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| Update Date | 2025-03-25 01:09:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02298012 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H47NO37S4 |
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| Molecular Mass | 1117.071 |
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| SMILES | CC(=O)NC1C(OC2C(O)C(O)OC(COS(=O)(=O)O)C(O)C2O)OC(COS(=O)(=O)O)C(OC2OC(COS(=O)(=O)O)C(O)C(OC3(C(=O)O)OC(CO[SH](=O)(O)O)C(O)C(C(=O)O)O3)C2O)C1O |
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| InChI Key | ZCBZPYKMERZIAG-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 | 1,3-dioxanesacetalsacetamidesalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesoxepanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativen-acyl-alpha-hexosaminebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundacetamidealcoholorganic sulfuric acid or derivativeshydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amidesecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxane |
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