| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:02 UTC |
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| Update Date | 2025-03-21 18:35:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107986 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C11H12N4O3 |
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| Molecular Mass | 248.0909 |
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| SMILES | O=C1CCN2C(=O)C(Cc3cnc[nH]3)NC(=O)C12 |
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| InChI Key | WVKYEGIMVGNYBX-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 | 1,3-dicarbonyl compounds2,5-dioxopiperazinesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesketoneslactamsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-3-onessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactam3-pyrrolidone2,5-dioxopiperazineketoneorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazoleazacyclen-alkylpiperazineheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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