| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:10 UTC |
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| Update Date | 2025-03-21 18:34:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103384 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C15H28N3O3S+ |
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| Molecular Mass | 330.1846 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCCCC1SCC2NC(=O)NC21 |
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| InChI Key | GGKGTVFBLPBXLZ-UHFFFAOYSA-O |
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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 | acyl cholinesaminesazacyclic compoundscarbonyl compoundscarboxylic acid estersdialkylthioethersfatty acid estershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltcarbonic acid derivativetetraalkylammonium saltazacycledialkylthioetherquaternary ammonium saltbiotinthienoimidazolidinefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esteracyl cholinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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