| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:02 UTC |
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| Update Date | 2025-03-25 00:58:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N6O3S |
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| Molecular Mass | 342.1474 |
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| SMILES | CSCCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CN)C(N)=O |
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| InChI Key | SPKVHQBWHMAICG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmethionine and derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidesprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouparomatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativealpha peptideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativespolypeptidesulfenyl compoundalpha-amino acid amideazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupn-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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