| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:02 UTC |
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| Update Date | 2025-03-21 18:41:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134143 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C25H38N4O4S |
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| Molecular Mass | 490.2614 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C(N)C(C)C)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | XZKUWHMTZUTSFE-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 | valine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compoundsorganosulfonamidesphenylbutylaminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupfatty amideorganosulfur compoundorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamidealpha-amino acid amideaminosulfonyl compoundvaline or derivativescarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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