| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:23 UTC |
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| Update Date | 2025-03-21 18:29:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077505 |
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| Frequency | 37.8 |
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| Structure | |
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| Chemical Formula | C12H16N2O4PS+ |
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| Molecular Mass | 315.0563 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1cccnc1 |
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| InChI Key | XAWOLYRPVWDXDR-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 | 4,5-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4,5-disubstituted 1,3-thiazoleorganic oxidepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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