| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:47 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N5O4S |
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| Molecular Mass | 329.1158 |
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| SMILES | NC(=O)CNC(=O)CNC(=O)CCC1SCC2NC(=O)NC21 |
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| InChI Key | VXBGCQTXNKIEJZ-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfatty amideshydrocarbon derivativesimidazolidinonesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidineprimary carboxylic acid amidefatty acylcarbonyl groupfatty amidealpha-amino acid or derivativesthiophenealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativealpha-amino acid amideazacyclen-acyl-alpha-amino aciddialkylthioetherthienoimidazolidinecarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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