| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:41 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223760 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N4O3S |
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| Molecular Mass | 228.0317 |
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| SMILES | NC(=O)c1cnc(SCC(=O)O)nc1N |
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| InChI Key | AMOYDTSVWZJRJU-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidessulfenyl compoundsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamvinylogous amidesulfenyl compoundazacycleheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativescarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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