| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:10 UTC |
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| Update Date | 2025-03-21 17:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017930 |
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| Frequency | 233.0 |
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| Structure | |
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| Chemical Formula | C20H32N6O12S2 |
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| Molecular Mass | 612.152 |
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| SMILES | NC(CCC(=O)NC(CSSCC(NC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | JRBLIKMXDVZVGD-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 | acyl glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesglutamic acid and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidessecondary carboxylic acid amidessulfenyl compoundstetracarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidealpha-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 acidtetracarboxylic acid or derivativesglutamic acid or derivativescarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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