| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:45 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N5OS |
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| Molecular Mass | 241.0997 |
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| SMILES | CC(=O)NCCSCc1cnc(N)nc1N |
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| InChI Key | NTXIVVAPUOBLIT-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 | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamacetamidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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