| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:03 UTC |
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| Update Date | 2025-03-25 00:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O2 |
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| Molecular Mass | 221.0913 |
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| SMILES | Nc1ncnc2[nH]c(CC(N)C(=O)O)cc12 |
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| InChI Key | VHHCPSDRLFKXSW-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 acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativespyrrolespyrrolo[2,3-d]pyrimidines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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