| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:06 UTC |
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| Update Date | 2025-03-25 00:48:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H25N3O15S |
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| Molecular Mass | 519.1006 |
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| SMILES | CC(=O)NC1C(OC2C(O)C(COS(=O)(=O)O)OC(O)C2NC(N)=O)OC(C(=O)O)C(O)C1O |
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| InChI Key | WOTOYUGHLAIASO-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 sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-acyl-alpha-hexosaminebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidealcoholcarbonic acid derivativepyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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