| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:10 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28N4O5S2 |
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| Molecular Mass | 432.1501 |
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| SMILES | CSCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NCC(=O)O |
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| InChI Key | SOWIWVHAMCUYKF-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbiotin and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdipeptideshydrocarbon derivativesimidazolidinonesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidfatty amidethiopheneorganosulfur compoundalpha peptidealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativesulfenyl compoundalpha-amino acid amideazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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