| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:22 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N4O3S |
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| Molecular Mass | 254.0474 |
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| SMILES | O=C(O)CCCSc1nc(=O)c2[nH]cnc2[nH]1 |
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| InChI Key | PUFBRUAERNZMAD-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 | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonessulfenyl compoundsthia fatty acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidpyrimidonealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolevinylogous amidesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhypoxanthinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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