| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:27 UTC |
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| Update Date | 2025-03-21 18:06:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065603 |
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| Frequency | 123.3 |
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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 | Nc1nc2c(CC(N)C(=O)O)c[nH]c2c(=O)[nH]1 |
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| InChI Key | TZDDEWQKWBAAFG-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 derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrrolespyrrolopyrimidines |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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