| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:30 UTC |
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| Update Date | 2025-03-25 00:45:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149940 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H31N5O7S |
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| Molecular Mass | 449.1944 |
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| SMILES | CSCCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(N)CC(=O)O)C(=O)O |
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| InChI Key | HATRVFXYLLJQJS-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 acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethionine and derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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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 compoundn-acyl-alpha amino acid or derivativespolypeptidesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethermethionine or derivativesaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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