| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:07 UTC |
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| Update Date | 2025-03-21 18:29:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079303 |
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| Frequency | 36.8 |
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| Structure | |
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| Chemical Formula | C12H21N3O5S |
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| Molecular Mass | 319.1202 |
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| SMILES | O=C(CCCCC1C2NC(=O)NC2CS1(=O)=O)NCCO |
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| InChI Key | HCJBLHUIUKQLBP-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 derivativeshydrocarbon derivativesimidazolidinonesn-acyl aminesn-acylethanolaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfonesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupfatty amidethiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundalkanolaminealcoholcarbonic acid derivativeazacyclethienoimidazolidinecarboxamide groupn-acylethanolaminen-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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