| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:12 UTC |
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| Update Date | 2025-03-21 18:39:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127536 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C13H21N3O4S |
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| Molecular Mass | 315.1253 |
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| SMILES | CC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O |
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| InChI Key | QAEIYKWFZRRZDQ-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 | alanine and derivativesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativeazacyclen-acyl-alpha-amino aciddialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheralanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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