| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:52 UTC |
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| Update Date | 2025-03-21 18:29:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076203 |
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| Frequency | 47.8 |
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| Structure | |
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| Chemical Formula | C22H32N4O4S |
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| Molecular Mass | 448.2144 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)CN)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | VAPSJRXUOFRZSF-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 acidsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidesphenylbutylaminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganosulfur compoundorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamidealpha-amino acid amideaminosulfonyl compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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