| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:31:32 UTC |
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| Update Date | 2025-03-24 22:15:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01133431 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C4H4N4O2 |
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| Molecular Mass | 140.0334 |
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| SMILES | NC(=O)c1[nH]cnc1N=O |
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| InChI Key | PQMVTWFABABNAG-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 | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitroso compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidecarbonyl grouporganic nitroso compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compound2-heteroaryl carboxamidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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