| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:15 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N4O6 |
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| Molecular Mass | 338.1226 |
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| SMILES | Nc1ncnc2c1cc(CCC(=O)O)n2C1OC(CO)C(O)C1O |
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| InChI Key | HDMOCGYWPZVBQZ-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 | pyrrolopyrimidine nucleosides and nucleotides |
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| Subclass | pyrrolopyrimidine nucleosides and nucleotides |
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| Direct Parent | pyrrolopyrimidine nucleosides and nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidines and pyrimidine derivativespyrrolo[2,3-d]pyrimidinessecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharidesubstituted pyrrolecarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundpyrrolopyrimidine ribonucleosideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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