| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:20 UTC |
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| Update Date | 2025-03-21 18:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036950 |
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| Frequency | 95.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O7S |
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| Molecular Mass | 338.1148 |
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| SMILES | CC(=O)NC1C(O)OC(CSCCC(N)C(=O)O)C(O)C1O |
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| InChI Key | WIJGBNQLNVKGLT-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 | 1,2-diolsacetamidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholsulfenyl compounddialkylthioethercarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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