| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:46 UTC |
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| Update Date | 2025-03-25 00:51:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184780 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N3O9P2+ |
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| Molecular Mass | 398.0513 |
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| SMILES | N=C(N)c1ccc[n+](C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c1 |
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| InChI Key | IGZMCHSLUDIFIM-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 | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundscarboximidamidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphateamidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboximidamideorganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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