| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:34 UTC |
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| Update Date | 2025-03-21 18:04:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051801 |
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| Frequency | 62.9 |
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| Structure | |
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| Chemical Formula | C8H9NO6S |
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| Molecular Mass | 247.0151 |
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| SMILES | O=C(O)C1=NC(C(=O)O)C(C(=O)O)CSC1 |
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| InChI Key | NZNSEWHLFHYLEY-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 acidsdialkylthioethershydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminedialkylthioethertricarboxylic acid or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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