| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:52 UTC |
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| Update Date | 2025-03-21 18:29:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078704 |
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| Frequency | 37.1 |
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| Structure | |
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| Chemical Formula | C11H19N3O6S |
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| Molecular Mass | 321.0995 |
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| SMILES | NC(CCSCC(=O)NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | RVFKWNMGXFWJCD-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboximidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty acidorganosulfur compoundcarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidesulfenyl compounddialkylthioethern-acyl-aminecarboxylic acid imidethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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