| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:20 UTC |
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| Update Date | 2025-03-21 18:36:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108747 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C10H14N2O5S |
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| Molecular Mass | 274.0623 |
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| SMILES | CCNCC(=O)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | ITNSUPVYEKVFPI-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupn-arylamidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatesecondary aliphatic amineorganic sulfuric acid or derivativesalpha-amino acid amidesecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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