| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:50 UTC |
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| Update Date | 2025-03-21 18:36:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112347 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C12H19N4O7P2S+ |
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| Molecular Mass | 425.0444 |
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| SMILES | Cc1ncc(C[n+]2csc(CCO[PH](=O)(=O)OP(=O)(O)O)c2C)c(N)n1 |
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| InChI Key | NEDYWDPDESXRMJ-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 | thiamine phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganic phosphoric acids and derivativesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamthiazoleorganic phosphoric acid derivativeamineorganooxygen compoundthiamine-phosphateazole |
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