| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:55:06 UTC |
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| Update Date | 2025-03-25 01:14:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02327657 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H54N2O33S3 |
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| Molecular Mass | 1090.1771 |
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| SMILES | CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(O)C(CO)OC(OC(C(=O)O)C(O)CO)C3O)C(NC(C)=O)C2O)C1O |
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| InChI Key | VNPWLQMCSGGMAS-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 acidsfatty acyl glycosides of mono- and disaccharidesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfated fatty acidssulfuric acid monoesters |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidesulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidcarboxylic acid derivativen-acyl-alpha-hexosaminebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholorganic sulfuric acid or derivativesfatty acyl glycosidehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfated fatty acidsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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