| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:50 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N4O4 |
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| Molecular Mass | 240.0859 |
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| SMILES | Nc1nc(NCCCC(=O)C(=O)O)cc(=O)[nH]1 |
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| InChI Key | GSGNYZPZDPPQRF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpyrimidonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundimidolactamvinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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