| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:14:40 UTC |
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| Update Date | 2025-03-21 22:13:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00519765 |
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| Frequency | 3.3 |
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| Structure | |
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| Chemical Formula | C4H5N3O |
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| Molecular Mass | 111.0433 |
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| SMILES | Nc1nc(C=O)c[nH]1 |
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| InChI Key | LGLCNXSABZEOSM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | imidazoles |
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| Direct Parent | carbonylimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl groupprimary amineorganic nitrogen compoundamineorganooxygen compound |
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