| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:35 UTC |
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| Update Date | 2025-03-25 00:57:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223533 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N6O6 |
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| Molecular Mass | 352.1131 |
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| SMILES | NC(=O)CC(Nc1ncnc2c1ncn2C1OCC(O)C1O)C(=O)O |
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| InChI Key | VOLXUEVGVHWAJA-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidamino acidfatty amidemonosaccharideimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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