| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:02 UTC |
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| Update Date | 2025-03-25 00:47:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164795 |
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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 | CC(O)C(O)C1Nc2cc(S(N)(=O)=O)ccc2NC1=O |
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| InChI Key | WWKWACAKUULJSE-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsaminosulfonyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycleaminosulfonyl compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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