| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:27 UTC |
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| Update Date | 2025-03-21 18:04:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051519 |
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| Frequency | 63.4 |
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| Structure | |
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| Chemical Formula | C8H10N4O5 |
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| Molecular Mass | 242.0651 |
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| SMILES | Nc1[nH]c(=O)[nH]c(=O)c1C(=O)CC(N)C(=O)O |
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| InChI Key | PZKIQQZYNHXQGV-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 | amino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidpyrimidonepyrimidineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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