| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:25 UTC |
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| Update Date | 2025-03-21 18:41:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134984 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H17N3O6S |
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| Molecular Mass | 331.0838 |
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| SMILES | NC(=O)CCSCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | VZKJKEHHMWSLTO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | 5'-deoxyribonucleosides |
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| Subclass | 5'-deoxy-5'-thionucleosides |
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| Direct Parent | 5'-s-alkylthio-5'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamaromatic heteromonocyclic compoundmonosaccharidepyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundcarboxamide groupoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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