| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:26 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181812 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5NO7S |
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| Molecular Mass | 222.9787 |
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| SMILES | O=C(O)C1=NC(C(=O)O)CS(=O)(=O)O1 |
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| InChI Key | YRRJYXYAQCIPSK-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivativesoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxideorganic oxygen compoundorganic sulfonic acid or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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