| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:24 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O5S |
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| Molecular Mass | 287.0576 |
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| SMILES | NC(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O |
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| InChI Key | GDWZIKFWOWSNRL-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsanilidesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | fatty acylorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amiden-arylamideorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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