| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:45 UTC |
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| Update Date | 2025-03-21 18:35:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107308 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C12H19N3O4S |
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| Molecular Mass | 301.1096 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1SCC2NC(=O)NC21 |
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| InChI Key | PUVRLYMGRUGCTB-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidfatty amidethiophenealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinecarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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