| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:31 UTC |
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| Update Date | 2025-03-21 18:31:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087300 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C11H14N4O4S |
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| Molecular Mass | 298.0736 |
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| SMILES | CSCC1OC(n2ncc3c(=O)nc[nH]c32)C(O)C1O |
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| InChI Key | LIASGNZUJUNQBH-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 | pyrazolopyrimidines |
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| Subclass | pyrazolo[3,4-d]pyrimidines |
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| Direct Parent | pyrazolo[3,4-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazolespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | monosaccharidepyrimidoneorganosulfur compoundpyrazolepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazole1,2-diolpyrazolo[3,4-d]pyrimidinealcoholvinylogous amidesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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