| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:33 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N7O6 |
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| Molecular Mass | 369.1397 |
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| SMILES | NC(CCNc1ncnc2c1nnn2C1OC(CO)C(O)C1O)C(=O)O |
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| InChI Key | WNCPIZOOIORIQJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofuranstriazolestriazolopyrimidines |
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| Substituents | triazolecarbonyl groupcarboxylic acidamino acidmonosaccharidepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactam1,2,3-triazoletriazolopyrimidineorganoheterocyclic compoundazolealcoholazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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