| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:49 UTC |
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| Update Date | 2025-03-21 18:06:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064072 |
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| Frequency | 48.0 |
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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=C(O)CCC(=O)CCC1SCC2NC(=O)NC21 |
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| InChI Key | FBLJTOIQUSMVNF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdialkylthioethersfatty acylsgamma-keto acids and derivativesheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesketonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidthiophenecarboxylic acid derivativeketonealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinegamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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