| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:26 UTC |
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| Update Date | 2025-03-21 18:38:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123332 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C11H18N2O3S |
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| Molecular Mass | 258.1038 |
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| SMILES | CN1C(=O)NC2C(CCCCC(=O)O)SCC21 |
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| InChI Key | ODEVQLVRSCAGOS-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 acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidcarbonic acid derivativeazacycledialkylthioetherbiotinthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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