| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:04 UTC |
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| Update Date | 2025-03-21 17:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013349 |
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| Frequency | 335.8 |
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| Structure | |
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| Chemical Formula | C11H16N4O4PS+ |
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| Molecular Mass | 331.0624 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2)c(N)n1 |
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| InChI Key | FRQGFVXEZPMYFT-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | monoalkyl phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativesthiazoles |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidineorganic oxideorganic oxygen compoundmonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamthiazoleamineorganoheterocyclic compoundorganooxygen compoundazole |
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