| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:50 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O6S |
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| Molecular Mass | 278.0573 |
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| SMILES | CC(=O)SC(NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | XXFDVKGCOPPTOW-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn,s-acetalsn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarbothioic s-estern,s-acetalorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundthiolactonen-acyl-alpha amino acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundn-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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