| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:41 UTC |
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| Update Date | 2025-03-21 18:41:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133358 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C9H11N3O6 |
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| Molecular Mass | 257.0648 |
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| SMILES | NC(CCn1c(C(=O)O)cc(=O)[nH]c1=O)C(=O)O |
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| InChI Key | AIZTXNQMNNGQJD-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrimidine-6-carboxylic acidorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganooxygen compound |
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