| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:33 UTC |
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| Update Date | 2025-03-21 18:33:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096965 |
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| Frequency | 28.5 |
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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)NC(CSC(=O)CC(N)C(=O)O)C(=O)O |
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| InChI Key | BRUWWTRMHNXBGN-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactoneacetamidethiocarboxylic acid or derivativessulfenyl compoundn-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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