| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:13:57 UTC |
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| Update Date | 2025-03-21 18:33:22 UTC |
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| HMDB ID | HMDB0015167 |
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| Metabolite Identification |
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| DeepMet ID | DMID00095466 |
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| Name | Mercaptopurine |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C5H4N4S |
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| Molecular Mass | 152.0157 |
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| SMILES | Sc1ncnc2nc[nH]c12 |
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| InChI Key | GLVAUDGFNGKCSF-UHFFFAOYSA-N |
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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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativesthiols |
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| Substituents | azacycleheteroaromatic compoundarylthiolorganosulfur compoundpyrimidinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepurineorganic nitrogen compoundazole |
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