| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:46 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N3O7S |
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| Molecular Mass | 321.0631 |
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| SMILES | CC(=O)NC(CSC(=O)C(N)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | QPDAXWBXZPZYAD-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 | 1,3-dicarbonyl compoundsacetamidesalpha amino acid amidesalpha amino acidscarbothioic s-esterscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptidecarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneacetamidethiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amidethiocarboxylic acid estercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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