| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:19 UTC |
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| Update Date | 2025-03-21 18:34:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101291 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C13H23N5O7S2 |
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| Molecular Mass | 425.1039 |
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| SMILES | NC(CCC(=O)NC(=O)C(N)CSSCC(N)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | YNFSYVUCKKWGKL-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboximidesdicarboxylic acids and derivativesdipeptidesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty acidorganosulfur compoundalpha peptidecarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidesulfenyl compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinecarboxylic acid imidealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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