| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:01 UTC |
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| Update Date | 2025-03-25 00:48:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O4S |
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| Molecular Mass | 286.0987 |
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| SMILES | CCN(CC)CC(=O)Nc1cccc(S(=O)(=O)O)c1 |
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| InChI Key | MIRDBDYPTHIBJY-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 | 1-sulfo,2-unsubstituted aromatic compoundsalpha amino acidsanilidesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonylstrialkylamines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganosulfonic acidn-arylamidebenzenesulfonateorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminebenzenesulfonyl groupalpha-amino acid amide1-sulfo,2-unsubstituted aromatic compoundtertiary aliphatic aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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