| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:34 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197905 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9N3O2S |
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| Molecular Mass | 199.0415 |
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| SMILES | NC(Cc1nccc(=S)[nH]1)C(=O)O |
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| InChI Key | CSQQMWHKLANYCA-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrimidinethionesthiolactams |
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| Substituents | carbonyl groupcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundpyrimidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthiolactamorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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