| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:18 UTC |
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| Update Date | 2025-03-25 00:58:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26N2O7S |
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| Molecular Mass | 390.1461 |
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| SMILES | CC1OC(OC(=O)CCCCC2SCC3NC(=O)NC32)C(O)C(O)C1O |
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| InChI Key | JBRVNONNPLACFR-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 | acetalsazacyclic compoundscarbonyl compoundscarboxylic acid estersdialkylthioethersfatty acid estershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupmonosaccharidethiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinonesaccharideorganic oxideacetalbiotin_derivativeorganonitrogen compoundorganopnictogen compoundoxanealcoholcarbonic acid derivativeazacycledialkylthioetherbiotinthienoimidazolidineoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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