| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:31 UTC |
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| Update Date | 2025-03-21 18:38:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121208 |
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| Frequency | 21.4 |
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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(CSCC1OC(n2ccc(=O)[nH]c2=O)CC1O)C(=O)O |
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| InChI Key | GKHBSLQGSBZTEU-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 | 2',5'-dideoxyribonucleosides |
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| Subclass | 2',5'-dideoxyribonucleosides |
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| Direct Parent | 2',5'-dideoxyribonucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound2',5'-dideoxyribonucleosidemonosaccharidepyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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