| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184388 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O10S2 |
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| Molecular Mass | 416.0559 |
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| SMILES | NC(CSSCC(N)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | QYZABHPAKSUFKM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha-amino acyl ester of carbohydrates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscysteine and derivativesdialkyldisulfidesglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidetricarboxylic acid or derivativesorganosulfur compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compoundhydroxy acidoxacycledialkyldisulfideorganic oxygen compoundpyranorganic disulfidecysteine or derivativescarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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