| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:54 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4S |
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| Molecular Mass | 284.0831 |
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| SMILES | NS(=O)CCC(NC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | YMPUSIIAAIEXMU-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 | alpha amino acidsaminosulfinyl compoundscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidessulfinic acid amidesthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidsulfinic acid derivativesulfinic acid amideorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundaminosulfinyl compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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