| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:15 UTC |
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| Update Date | 2025-03-21 18:04:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053339 |
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| Frequency | 60.7 |
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| Structure | |
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| Chemical Formula | C13H20N2O5S |
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| Molecular Mass | 316.1093 |
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| SMILES | O=C(O)CCCCC1SC(CCC(=O)O)C2NC(=O)NC12 |
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| InChI Key | LERFVYGZMSSDRL-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain fatty acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthia fatty acidsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidcarbonic acid derivativeazacycledialkylthioetherbiotinthienoimidazolidinethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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