| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:00 UTC |
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| Update Date | 2025-03-25 00:58:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO7S |
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| Molecular Mass | 341.0569 |
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| SMILES | CC(=O)NC(CSC(C(=O)O)c1ccccc1C(=O)O)C(=O)O |
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| InChI Key | GLNYHIKOHUDXCY-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidesalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscysteine and derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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