| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:19 UTC |
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| Update Date | 2025-03-25 00:51:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O4S |
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| Molecular Mass | 286.0987 |
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| SMILES | C=CC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O |
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| InChI Key | QXSDTUQJNOWNON-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 compoundsenoneshydrocarbon derivativesimidazolidinonesketonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinecarbonyl groupcarbonic acid derivativeazacyclealpha,beta-unsaturated ketonethienoimidazolidinethiopheneketonealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganic oxygen compoundbiotin_derivativeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundsulfoneenone |
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