| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:02 UTC |
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| Update Date | 2025-03-21 18:07:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069423 |
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| Frequency | 43.5 |
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| Structure | |
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| Chemical Formula | C12H16N4O5PS+ |
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| Molecular Mass | 359.0574 |
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| SMILES | Cc1ncc(C[n+]2csc(CC(=O)OP(=O)(O)O)c2C)c(N)n1 |
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| InChI Key | RNPIFTNEIVTHGU-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 thiazolesacyl monophosphatesamino acids and derivativesazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsprimary amines |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamthiamine-phosphateazoleazacycleacyl monophosphateheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeamineorganooxygen compoundacyl phosphate |
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