| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:07 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N2O11P2+ |
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| Molecular Mass | 415.0302 |
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| SMILES | NC(=O)c1ccc[n+](C2C(O)C(O)C(OP(=O)(O)OP(=O)(O)O)C2O)c1 |
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| InChI Key | LLHSYEOKZHRTFF-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 compoundscarboxylic acids and derivativescyclitols and derivativescyclopentanolsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecyclitol or derivativescyclic alcoholcarboxamide grouporganic pyrophosphatecyclopentanolpyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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