| 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 | DMID02206089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O8PS+ |
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| Molecular Mass | 381.0516 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COP(O)(O)=S)C(O)C(O)C2O)c1 |
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| InChI Key | YZNRRPGSDUDDDU-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary carboxylic acid amidessecondary alcoholsthiophosphate monoestersvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundthiophosphoric acid esternicotinamidemonosaccharidecarboxylic acid derivativethiophosphate monoesterorganic thiophosphoric acid or derivativessaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxanealcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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