| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:19 UTC |
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| Update Date | 2025-03-21 18:41:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134758 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C20H34N6O11S2 |
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| Molecular Mass | 598.1727 |
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| SMILES | NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCCO)C(=O)O |
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| InChI Key | YVPOOWQYWVPCRZ-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalcohols and polyolsalkanolaminesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acylethanolaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminen-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acylethanolaminen-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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