| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:39 UTC |
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| Update Date | 2025-03-21 18:28:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073315 |
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| Frequency | 40.7 |
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| Structure | |
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| Chemical Formula | C14H19N5O6S |
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| Molecular Mass | 385.1056 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(CSCCC(=O)O)C(O)C(O)C1O |
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| InChI Key | YNXCCIXGBWPDPG-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharideorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneimidolactamazolen-substituted imidazolealcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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