| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:28 UTC |
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| Update Date | 2025-03-21 18:28:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072860 |
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| Frequency | 41.0 |
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| Structure | |
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| Chemical Formula | C13H17N4O2S+ |
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| Molecular Mass | 293.1067 |
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| SMILES | CC(=O)OCc1sc[n+](Cc2cnc(C)nc2N)c1C |
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| InChI Key | OLZQQKBYBJQCQW-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 | azoles |
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| Subclass | thiazoles |
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| Direct Parent | 4,5-disubstituted thiazoles |
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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 aminespyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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