| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:03 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O6 |
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| Molecular Mass | 255.0491 |
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| SMILES | O=C1NC(=CC=NC(=O)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | XJGJTKZWNRSDJF-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdiazinanesdicarboxylic acids and derivativeshydrocarbon derivativesn-acyliminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidones |
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| Substituents | n-acyliminecarbonyl groupcarbonic acid derivativecarboxylic acidazacyclepyrimidoneorganic 1,3-dipolar compoundpyrimidinepropargyl-type 1,3-dipolar organic compound1,3-diazinaneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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