| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:08 UTC |
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| Update Date | 2025-03-25 00:57:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226905 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H28N4O6S |
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| Molecular Mass | 392.173 |
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| SMILES | CC(C)CC(N)C(=O)NC(CCSCC(N)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | WBEJDIRRKPDCPX-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 acidsbranched fatty acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesleucine and derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganosulfur compoundalpha peptideorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupbranched fatty acidn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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