| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:09 UTC |
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| Update Date | 2025-03-25 00:55:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213306 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O3S |
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| Molecular Mass | 283.0991 |
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| SMILES | CN1CCCC1C(=O)NS(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | OVHDUEXLFPRQCF-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivativesprimary aminespyrrolidinecarboxamidestrialkylamines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundbenzenesulfonyl groupproline or derivativesbenzenesulfonamidealpha-amino acid amideazacycleaminosulfonyl compoundn-alkylpyrrolidinetertiary aliphatic aminesulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundpyrrolidine-2-carboxamideamineorganooxygen compound |
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