| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:01 UTC |
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| Update Date | 2025-03-21 18:33:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098108 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C6H6N4O2S |
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| Molecular Mass | 198.0211 |
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| SMILES | Cn1c(=S)[nH]c2[nH]c(=O)[nH]c(=O)c21 |
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| InChI Key | MZZXJWSETRDQSJ-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 | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethioneslactamsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspurinethionespyrimidonesthioureasvinylogous amides |
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| Substituents | thiourealactamimidazole-2-thionepyrimidoneorganosulfur compoundpurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundpurinethioneorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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