| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:08 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224746 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5N3O3S |
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| Molecular Mass | 187.0052 |
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| SMILES | Nc1c(C(=O)O)[nH]c(=S)[nH]c1=O |
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| InChI Key | QQTWVGSKSFAHQH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidinethionespyrimidonesthioureasvinylogous amides |
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| Substituents | thiourealactamcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundamino acid or derivativesamino acidpyrimidoneorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-thiopyrimidinepyrimidine-6-carboxylic acidvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundthiopyrimidine |
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