| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:16 UTC |
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| Update Date | 2025-03-21 17:58:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013778 |
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| Frequency | 322.8 |
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| Structure | |
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| Chemical Formula | C12H21N3O3S |
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| Molecular Mass | 287.1304 |
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| SMILES | O=C(CCCCC1SCC2NC(=O)NC21)NCCO |
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| InChI Key | UYBGABATOCWMIE-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 polyolsalkanolaminesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesimidazolidinonesn-acyl aminesn-acylethanolaminesorganic 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 compoundalkanolaminealcoholcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acylethanolaminen-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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