| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:17 UTC |
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| Update Date | 2025-03-21 18:29:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079673 |
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| Frequency | 36.6 |
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| Structure | |
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| Chemical Formula | C13H15N3O5S |
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| Molecular Mass | 325.0732 |
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| SMILES | O=NSCC(NC(=O)Cc1ccccc1)C(=O)NCC(=O)O |
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| InChI Key | BQNMVYUJQIIPIM-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesmonocarboxylic acids and derivativesnitrosothiolsorganic oxidesorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundalpha peptidenitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideorganic s-nitroso compoundorganic nitroso compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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