| 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 | DMID02218482 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N4O7P2+ |
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| Molecular Mass | 391.0567 |
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| SMILES | Cc1ncc(C[n+]2cccc(COP(=O)(O)OP(=O)(O)O)c2)c(N)n1 |
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| InChI Key | XEUBWUBNERVNAX-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonoalkyl phosphatesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic pyrophosphatepyridinephosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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