| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:20 UTC |
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| Update Date | 2025-03-25 00:53:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O2S |
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| Molecular Mass | 268.1245 |
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| SMILES | CC=CC(=O)CCCCC1SCC2NC(=O)NC21 |
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| InChI Key | PCYRRNQJHCFHER-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 | acryloyl compoundsazacyclic compoundsdialkylthioethersenoneshydrocarbon derivativesimidazolidinonesketonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinecarbonyl groupalpha,beta-unsaturated ketonethiopheneketonealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundenonecarbonic acid derivativeazacycledialkylthioetherthienoimidazolidineorganic oxygen compoundthioetherhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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