| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:15 UTC |
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| Update Date | 2025-03-25 00:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H34N4O6S |
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| Molecular Mass | 458.2199 |
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| SMILES | NC(CCCCNC(=O)CCCCC1SC(CCCC(=O)O)C2NC(=O)NC12)C(=O)O |
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| InChI Key | NAURHIFHUUVQPE-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 acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain fatty acidsmonoalkylaminesn-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 compoundmedium-chain fatty acidcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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