| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:06 UTC |
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| Update Date | 2025-03-21 17:57:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011082 |
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| Frequency | 419.8 |
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| Structure | |
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| Chemical Formula | C12H17N3O4PS+ |
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| Molecular Mass | 330.0672 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)cn1 |
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| InChI Key | GCWGKVWCJZDDAF-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 derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolepyrimidineorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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