| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N5O9P |
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| Molecular Mass | 415.0529 |
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| SMILES | O=C(O)CC(Nc1ncnc2c1ncn2C1CC2OP(=O)(O)OC2O1)C(=O)O |
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| InChI Key | CRXGHYBUFDXNQW-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 derivativesdioxaphospholanesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazoleazacycletetrahydrofuranheteroaromatic compound1,3_dioxaphospholanesecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compoundamine |
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