| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:09 UTC |
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| Update Date | 2025-03-25 00:51:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N4O3 |
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| Molecular Mass | 210.0753 |
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| SMILES | Nc1nc(=O)c2c([nH]1)C(C(=O)O)NCC2 |
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| InChI Key | CHRNWOKXPLTECA-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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