| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:19 UTC |
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| Update Date | 2025-03-21 18:40:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130207 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C22H39N5O5S |
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| Molecular Mass | 485.2672 |
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| SMILES | NC(CCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O |
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| InChI Key | KNQOLBXPUROEDZ-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 derivativesimidazolidinonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic 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 compoundmedium-chain fatty acidcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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