| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:15 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H33N5O3S |
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| Molecular Mass | 411.2304 |
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| SMILES | O=C(CCCCC1SCC2NC(=O)NC21)NCCCCNC(=O)C1CCCN1 |
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| InChI Key | ORWIYWGTLBDEFT-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 acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesdialkylthioethershydrocarbon derivativesimidazolidinonesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupamino acid or derivativesfatty amidealpha-amino acid or derivativesthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineproline or derivativessecondary aliphatic aminecarbonic acid derivativealpha-amino acid amideazacycledialkylthioethersecondary aminethienoimidazolidinecarboxamide groupn-acyl-aminesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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