| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:56 UTC |
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| Update Date | 2025-03-21 18:34:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102814 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C12H18N5O2S+ |
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| Molecular Mass | 296.1176 |
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| SMILES | Cc1c(CCO)sc[n+]1Cc1c(N)nc(=O)n(C)c1N |
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| InChI Key | AQUDYDXSPZOFFT-UHFFFAOYSA-O |
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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 | thiamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic carbonic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundsprimary aminespyrimidones |
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| Substituents | alcoholcarbonic acid derivativearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidone4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundthiamineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamthiazoleamineorganooxygen compoundazole |
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