| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:45 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187084 |
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| Frequency | 0.5 |
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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 | CC(C(=O)O)C(=O)CCC1SCC2NC(=O)NC21 |
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| InChI Key | LOZWPEDEVRYSNU-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 | 1,3-dicarbonyl compoundsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylsheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain keto acids and derivativesmethyl-branched fatty acidsmonocarboxylic 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 derivativemethyl-branched fatty acidazacycledialkylthioetherbiotinthienoimidazolidinebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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