| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:57 UTC |
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| Update Date | 2025-03-21 18:40:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129330 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C10H16N2O6S2 |
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| Molecular Mass | 324.045 |
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| SMILES | O=C1NC2CSC(CCCCC(=O)OS(=O)(=O)O)C2N1 |
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| InChI Key | PGUGYWZEJBUGAG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | biotin and derivatives |
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| Subclass | biotin and derivatives |
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| Direct Parent | biotin and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoestersthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinesulfuric acid monoestercarbonyl groupthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundcarbonic acid derivativeorganic sulfuric acid or derivativesazacycledialkylthioetherbiotinthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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