| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:49:15 UTC |
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| Update Date | 2025-03-24 21:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01894119 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H9N3O |
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| Molecular Mass | 139.0746 |
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| SMILES | CNCC(=O)c1c[nH]cn1 |
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| InChI Key | PSGUEXPWWAWHLW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonylimidazolesdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidesecondary aliphatic aminearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary amineorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundorganoheterocyclic compoundamineazole |
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