| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:41 UTC |
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| Update Date | 2025-03-25 00:49:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175474 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O3 |
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| Molecular Mass | 237.0862 |
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| SMILES | Nc1ncnc(N)c1C=CC(=O)C(N)C(=O)O |
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| InChI Key | NYTOQJHEGDYIHM-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 | 1,3-dicarbonyl compoundsacryloyl compoundsamino acidsamino fatty acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamsmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativesb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonebeta-keto acidpyrimidineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundenoneazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-groupprimary aliphatic amineprimary amineorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compoundmedium-chain keto acid |
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