| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:05 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162627 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O6S |
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| Molecular Mass | 274.026 |
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| SMILES | O=C(O)CC(NS(=O)(=O)c1cccnc1)C(=O)O |
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| InChI Key | JGDFPPJEQRTNBC-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyridinesulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundorganosulfonic acid amideorganic oxidepyridine-3-sulfonamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleaminosulfonyl compoundheteroaromatic compoundhydroxypyridinesulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativesaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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