| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:40 UTC |
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| Update Date | 2025-03-21 18:36:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109553 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C16H25N3O5S |
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| Molecular Mass | 371.1515 |
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| SMILES | O=C(CCCCC1SCC2NC(=O)NC21)NCCCCC(=O)C(=O)O |
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| InChI Key | KCHHPMKZTNKXJQ-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-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain keto acids and derivativesmonocarboxylic 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 amidethiophenealpha-hydroxy ketonecarboxylic acid derivativeketonealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-keto acidorganopnictogen compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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