| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:49 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187247 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N4O5S2 |
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| Molecular Mass | 388.0875 |
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| SMILES | CC(=O)Nc1ccc(S(=O)(=O)N=C(N)CCSCC(N)C(=O)O)cc1 |
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| InChI Key | XZEXUEUTDGXHJF-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesalpha amino acidsamidinesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivativessecondary carboxylic acid amidessulfenyl compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylaminen-arylamideamidineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidebenzenesulfonyl groupbenzenesulfonamidesulfenyl compoundacetanilidedialkylthioethercarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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