| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:22 UTC |
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| Update Date | 2025-03-21 18:32:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089257 |
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| Frequency | 31.7 |
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| Structure | |
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| Chemical Formula | C12H15N4OS+ |
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| Molecular Mass | 263.0961 |
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| SMILES | CC(=O)c1sc[n+](Cc2cnc(C)nc2N)c1C |
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| InChI Key | LYFGJPHKTTUTBB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamthiazoleamineorganoheterocyclic compoundazole |
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