| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:15 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156381 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O13P3+ |
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| Molecular Mass | 495.0329 |
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| SMILES | C[PH](O)(OCC1OC([n+]2cccc(C(N)=O)c2)C(O)C1O)OP(=O)(O)OP(=O)(O)O |
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| InChI Key | HQLNWTFPDQLAKB-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 | 1,2-diolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundorganic cationorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide grouporganic pyrophosphateoxacyclepyridinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compound |
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