| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:33 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 | DMID02152404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H35N5O6S |
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| Molecular Mass | 473.2308 |
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| SMILES | NC(CCNC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O |
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| InChI Key | XDOIBGICUVPHPR-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminecarbonic acid derivativeazacycledialkylthioethersecondary aminethienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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