| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:55 UTC |
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| Update Date | 2025-03-21 18:28:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073947 |
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| Frequency | 40.2 |
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| Structure | |
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| Chemical Formula | C14H21N3O6S |
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| Molecular Mass | 359.1151 |
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| SMILES | O=C(O)CC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O |
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| InChI Key | ZJZWINMBIPQDIR-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 acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesn-acyl aminesn-acyl-alpha amino acidsorganic 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 compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativeazacyclen-acyl-alpha-amino aciddialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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