| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:03 UTC |
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| Update Date | 2025-03-21 18:38:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122495 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C13H21N3O8S |
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| Molecular Mass | 379.1049 |
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| SMILES | NC(CCC(=O)O)C(=O)NC(CS)C(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | PKYAVRMYTBBRLS-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 | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesglutamic acid and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspeptidessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativespolypeptidealpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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