| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:48 UTC |
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| Update Date | 2025-03-21 18:38:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119518 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C12H18N4O4PS+ |
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| Molecular Mass | 345.0781 |
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| SMILES | Cc1ncc(C[n+]2scc(CCOP(=O)(O)O)c2C)c(N)n1 |
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| InChI Key | TVMMWYHTJMBXSA-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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