| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:11 UTC |
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| Update Date | 2025-03-21 18:06:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062589 |
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| Frequency | 49.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O3S |
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| Molecular Mass | 301.146 |
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| SMILES | O=C(CCCCC1SCC2NC(=O)NC21)NCCCO |
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| InChI Key | UNLGXMJYDZNWIR-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 | alcohols and polyolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesimidazolidinonesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupfatty amidethiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundalcoholcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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