| 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 | DMID00102815 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C13H21N4O7P2S+ |
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| Molecular Mass | 439.0601 |
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| SMILES | Cc1ncc(C[n+]2c(C)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1 |
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| InChI Key | BTEZDQLWZQKAGR-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 | 2,4,5-trisubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic cationsorganic oxidesorganic pyrophosphatesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | aromatic heteromonocyclic compound2,4,5-trisubstituted 1,3-thiazoleorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamthiamine-phosphateazoleazacycleheteroaromatic compoundorganic pyrophosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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