| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:44 UTC |
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| Update Date | 2025-03-25 00:45:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O5S |
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| Molecular Mass | 275.0576 |
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| SMILES | Cc1ncc(CCCC(=O)OS(=O)(=O)O)c(N)n1 |
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| InChI Key | OHLCSJJXELVULR-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 | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compoundcarboxylic acid derivativepyrimidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esterimidolactamamineorganooxygen compound |
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