| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:54 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166835 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23N7O8 |
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| Molecular Mass | 453.1608 |
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| SMILES | CC(C(=O)O)n1cnc2c(NC(CC(=O)O)C(=O)O)nc(NCCCC(N)C(=O)O)nc21 |
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| InChI Key | BRRDCJBLHFLMMC-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkylaminesn-substituted imidazolesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminestetracarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundtetracarboxylic acid or derivativessecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganooxygen compoundamine |
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