| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:45 UTC |
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| Update Date | 2025-03-21 18:28:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073548 |
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| Frequency | 40.5 |
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| Structure | |
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| Chemical Formula | C16H31N3O4S |
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| Molecular Mass | 361.2035 |
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| SMILES | CCC(C)C(NC(=O)C(N)C(C)C)C(=O)NC(CCSC)C(=O)O |
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| InChI Key | PYXQBKJPHNCTNW-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 | alpha amino acid amidesalpha amino acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesisoleucine and derivativesmethionine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidessecondary carboxylic acid amidessulfenyl compoundsthia fatty acidsvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativespolypeptidesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethervaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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