| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:58 UTC |
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| Update Date | 2025-03-21 18:30:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083704 |
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| Frequency | 34.3 |
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| Structure | |
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| Chemical Formula | C9H12N4O5 |
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| Molecular Mass | 256.0808 |
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| SMILES | Cn1c(=O)[nH]c(N)c(C(=O)CC(N)C(=O)O)c1=O |
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| InChI Key | YARLJGSGZOEIII-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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