| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:31 UTC |
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| Update Date | 2025-03-21 18:39:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125870 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C15H22N6O5S |
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| Molecular Mass | 398.1372 |
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| SMILES | Nc1ncnc2c1ncn2C1C(O)C(O)C(CSCCC(N)C(=O)O)C1O |
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| InChI Key | RUHGJAQDECDKNP-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 | purine nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-substituted cyclopentyl purine nucleosidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclitols and derivativescyclopentanolscyclopentyl nucleosidesdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesimidazopyrimidineorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidimidolactamorganoheterocyclic compoundazolen-substituted imidazolecyclopentyl nucleosidealcoholsulfenyl compoundazacyclepurine nucleosidedialkylthioetherheteroaromatic compoundcyclitol or derivativescyclic alcoholcyclopentanol1,3-substituted cyclopentyl purine nucleosidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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