| 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 | DMID02250857 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N5O9P |
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| Molecular Mass | 405.0686 |
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| SMILES | O=C(O)CC(Nc1ncnc2c1ncn2CC(O)COP(=O)(O)O)C(=O)O |
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| InChI Key | HLQPEWVVEXQUGH-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 derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundphosphoric acid estermonoalkyl phosphateaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundamine |
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