| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:23 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O5PS+ |
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| Molecular Mass | 373.073 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc(N)[n+]1Cc1cncc(C(N)=O)c1 |
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| InChI Key | XRFNIURYWHMMJA-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 | 2,4,5-trisubstituted thiazolesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesnicotinamidesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinenicotinamidecarboxylic acid derivative2,4,5-trisubstituted 1,3-thiazoleorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide grouporganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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