| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:23 UTC |
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| Update Date | 2025-03-21 18:41:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132706 |
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| Frequency | 19.0 |
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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]c(=O)c2[nH]c(=O)[nH]c21 |
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| InChI Key | QGZXFXNJVIVXTF-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 | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesalkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspurinonespyrimidinethionespyrimidonesthioureasthioxanthinesvinylogous amides |
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| Substituents | thiourealactampyrimidinethionepyrimidoneorganosulfur compoundpurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-thiopyrimidineazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundxanthinethioxanthinealkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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