| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:15 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183598 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26N2O9S |
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| Molecular Mass | 422.1359 |
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| SMILES | O=C1NC2CSC(CCCCC(=O)OC3OC(C(O)O)C(O)C(O)C3O)C2N1 |
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| InChI Key | JWYNXCBFWAJATN-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 | acetalsazacyclic compoundscarbonyl compoundscarbonyl hydratescarboxylic acid estersdialkylthioethersfatty acid estershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarbonyl hydratemonosaccharidethiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinonesaccharideorganic oxideacetalbiotin_derivativeorganonitrogen compoundorganopnictogen compoundoxanealcoholcarbonic acid derivativeazacycledialkylthioetherbiotinthienoimidazolidineoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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