| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:14 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11N5O5 |
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| Molecular Mass | 281.076 |
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| SMILES | Nc1nc2[nH]cc(NC(CC(=O)O)C(=O)O)c2c(=O)[nH]1 |
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| InChI Key | SRJXAAUXEADDQW-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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