| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:25 UTC |
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| Update Date | 2025-03-21 18:03:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041917 |
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| Frequency | 81.7 |
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| Structure | |
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| Chemical Formula | C11H16N2O4S |
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| Molecular Mass | 272.0831 |
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| SMILES | O=C1NC2CSC(CCCCC(=O)C(=O)O)C2N1 |
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| InChI Key | XIBDDBCMPQWWQD-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic 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 acylcarbonyl groupcarboxylic acidheterocyclic fatty acidthiophenealpha-hydroxy ketonecarboxylic acid derivativeketonealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-keto acidorganopnictogen compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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