| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:38 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250860 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17N5O8 |
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| Molecular Mass | 395.1077 |
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| SMILES | O=C(O)CC(Nc1ncnc2c(=O)n(C3CC(O)C(CO)O3)cnc12)C(=O)O |
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| InChI Key | HWYTVSKVGRTYLH-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 derivativesimidolactamslactamsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidmonosaccharidepyrimidonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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