Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:38:34 UTC |
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Update Date | 2025-03-25 00:45:58 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02152452 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C21H37N5O5S |
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Molecular Mass | 471.2515 |
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SMILES | NC(CCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O |
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InChI Key | WCUQARWNZLLNAV-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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