| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:02 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N4O2S+ |
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| Molecular Mass | 335.1536 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOC(=O)C(C)(C)C)c2)c(N)n1 |
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| InChI Key | AEAHSVRVPZZAQJ-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 compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundsprimary aminesthiazoles |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compoundcarboxylic acid derivativepyrimidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamthiazoleamineorganooxygen compoundazole |
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