| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:35 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182129 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O5 |
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| Molecular Mass | 239.0542 |
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| SMILES | O=C(O)C=Cc1[nH]cnc1C(=O)NCC(=O)O |
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| InChI Key | DLYDTPOTWJKBGI-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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