| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:07 UTC |
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| Update Date | 2025-03-25 00:53:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H27N3O6S4 |
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| Molecular Mass | 485.0783 |
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| SMILES | NC(CSSCC(NC(=O)CCCCC1CCSS1)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | YOMNGEQKHASRJJ-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativeslipoamidesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundalpha peptide1,2-dithiolaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compounddithiolaneorganic disulfidecysteine or derivativeslipoamidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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