| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:18 UTC |
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| Update Date | 2025-03-25 00:54:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208821 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H30N8O7S |
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| Molecular Mass | 526.1958 |
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| SMILES | CC(C)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O |
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| InChI Key | GPPCPMRSSMGGCA-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesn-carbamoyl-alpha amino acidsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofuransthia fatty acidsvaline and derivatives |
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| Substituents | carboxylic acidmonosaccharidealpha-amino acid or derivativesimidazopyrimidinesacchariden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidhydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholsulfenyl compoundalpha-amino acid amideazacycledialkylthioethervaline or derivativesheteroaromatic compoundn-substituted-alpha-amino acidsecondary carboxylic acid amidethioetherhydrocarbon derivativeprimary aliphatic aminefatty acylcarbonyl groupfatty amiden-arylamideorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxide5'-s-alkylthio-5'-deoxyribonucleosidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazolecarbonic acid derivativetetrahydrofurann-carbamoyl-alpha-amino acidcarboxamide groupoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholpurineorganic nitrogen compoundorganooxygen compound |
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