| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:44 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7N5O5 |
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| Molecular Mass | 253.0447 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NC(C(=O)O)=NC2C(=O)O |
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| InChI Key | YNWVZOZLQRFYKA-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 heteropolycyclic compounds |
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| Alternative Parents | amidinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidoneamidinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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