| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:21 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048970 |
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| Frequency | 67.5 |
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| Structure | |
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| Chemical Formula | C7H9N3O3S |
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| Molecular Mass | 215.0365 |
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| SMILES | NC(Cc1c[nH]c(=S)[nH]c1=O)C(=O)O |
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| InChI Key | BNAITNCYBJGEPD-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 | 2-thiopyrimidinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinethionespyrimidonesthioureasvinylogous amides |
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| Substituents | carbonyl groupthiourealactamcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-thiopyrimidineorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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