| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:22 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7N3O3S |
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| Molecular Mass | 201.0208 |
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| SMILES | Cn1c(=O)[nH]c(N)c(C(=O)O)c1=S |
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| InChI Key | WAQWGKKXRQKFBW-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 | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundsprimary aminespyrimidinethionespyrimidonesthiolactamsvinylogous amides |
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| Substituents | carboxylic acidpyrimidinethionearomatic heteromonocyclic compoundamino acid or derivativesamino acidpyrimidoneorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundpyrimidine-5-carboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundthiolactamhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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