| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:50 UTC |
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| Update Date | 2025-03-25 00:45:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150736 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O4PS+ |
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| Molecular Mass | 344.0828 |
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| SMILES | Cc1ccc(C[n+]2c(N)sc(CCOP(=O)(O)O)c2C)cn1 |
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| InChI Key | CEJZLZOGOCJAAR-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 | azoles |
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| Subclass | thiazoles |
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| Direct Parent | 2,4,5-trisubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary amines |
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| Substituents | aromatic heteromonocyclic compoundpolyhalopyridine2,4,5-trisubstituted 1,3-thiazoleorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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