| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:00 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233260 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H39N5O3S |
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| Molecular Mass | 441.2774 |
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| SMILES | NCCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21 |
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| InChI Key | PPINVAJEOOAVMO-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 compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesimidazolidinonesmonoalkylaminesn-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 compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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