| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:08 UTC |
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| Update Date | 2025-03-21 18:06:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064838 |
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| Frequency | 47.4 |
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| Structure | |
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| Chemical Formula | C21H34N6O12S2 |
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| Molecular Mass | 626.1676 |
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| SMILES | NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCCC(=O)O)C(=O)O |
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| InChI Key | PWTQMEUCSXDYGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdipeptidesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary 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 derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidtetracarboxylic acid or derivativescarboxamide groupn-acyl-aminebeta amino acid or derivativesn-acylglycinen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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