| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:54 UTC |
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| Update Date | 2025-03-21 18:34:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100258 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C10H14N2O4S |
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| Molecular Mass | 258.0674 |
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| SMILES | O=C(O)CC(=O)CCC1SCC2NC(=O)NC21 |
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| InChI Key | QFWSBLAKLSXJAW-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 compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylsheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidheterocyclic fatty acidthiophenecarboxylic acid derivativebeta-keto acidketonealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundcarbonic acid derivativeazacycledialkylthioetherbiotinthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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