| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:47 UTC |
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| Update Date | 2025-03-25 01:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253410 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N6O9 |
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| Molecular Mass | 426.1135 |
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| SMILES | Nc1ncnc2c(NC(CC(=O)O)C(=O)O)nc(=O)n(C3OC(CO)C(O)C3O)c12 |
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| InChI Key | VVGUQNIDKYIJMO-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharidepyrimidonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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