| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:33 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N4O4PS+ |
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| Molecular Mass | 345.0781 |
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| SMILES | Cc1cnnc(N)c1C[n+]1csc(CCOP(=O)(O)O)c1C |
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| InChI Key | JNLYSHZXKWMFIR-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 derivativesimidolactamsmonoalkyl phosphatesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyridazines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyridazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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