| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:43:23 UTC |
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| Update Date | 2025-03-24 20:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01594072 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C33H54N10O18S2 |
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| Molecular Mass | 942.3059 |
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| SMILES | NC(CCC(=O)NC(CCC(=O)NC(NC(=O)CCC(N)C(=O)O)C(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | CRDIPLPWYWFTDC-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 glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesglutamine and derivativeshexacarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidealpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhexacarboxylic acid or derivativesn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-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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