| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:39 UTC |
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| Update Date | 2025-03-25 00:53:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198127 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O6S |
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| Molecular Mass | 304.0729 |
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| SMILES | O=C(O)CC(O)(CCC1SCC2NC(=O)NC21)C(=O)O |
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| InChI Key | MJZBKPUBOSHCJH-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 acids and derivativesazacyclic compoundsbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolidinonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcoholsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-hydroxy acidfatty acidthiophenecarboxylic acid derivativemedium-chain hydroxy acidaliphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholcarbonic acid derivativeazacycledialkylthioetherbiotinhydroxy acidthienoimidazolidinebranched fatty acidtertiary alcoholorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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