| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:37 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207194 |
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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 | Nc1nc2c(=O)n(CC(=O)O)c(=O)[nH]c2c(=O)[nH]1 |
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| InChI Key | SHEXBHFHKUFDRN-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 and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonealpha-amino acid or derivativespyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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