| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:52:34 UTC |
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| Update Date | 2025-03-21 18:52:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00187277 |
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| Frequency | 12.2 |
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| Structure | |
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| Chemical Formula | C5H6N4O |
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| Molecular Mass | 138.0542 |
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| SMILES | O=C1CNc2[nH]cnc2N1 |
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| InChI Key | XNWRQGRPDIXGLN-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazoleazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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