| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:26 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106519 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C12H17N3O5PS+ |
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| Molecular Mass | 346.0621 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(O)n1 |
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| InChI Key | NRAWMGHHFCIYAM-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 | hydroxypyrimidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyrimidine4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundazole |
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