| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:25 UTC |
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| Update Date | 2025-03-25 00:56:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218485 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N7O4P+ |
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| Molecular Mass | 342.1074 |
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| SMILES | Cc1ncc(C[n+]2c(N)nnc(COP(=O)(O)O)c2C)c(N)n1 |
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| InChI Key | KLOOIMJGJDXZOL-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 | 1,2,4-triazinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidineorganic oxideorganic oxygen compoundmonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundtriazinehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactam1,2,4-triazineamineorganoheterocyclic compoundorganooxygen compound |
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