| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:40 UTC |
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| Update Date | 2025-03-25 00:54:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O5S |
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| Molecular Mass | 301.0732 |
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| SMILES | Nc1ccc(S(=O)(=O)CC(N)C(=O)NCC(=O)O)cc1 |
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| InChI Key | YGZKERKYAKXQMI-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupalpha-amino acid amidecarboxamide groupn-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
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