| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:48:45 UTC |
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| Update Date | 2025-03-25 01:35:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02452694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H7N3O |
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| Molecular Mass | 113.0589 |
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| SMILES | CNC1N=CNC1=O |
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| InChI Key | XXJVYFFTOOGJBC-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 compoundscarboximidamidescarboxylic acids and derivativesdialkylamineshydrocarbon derivativesimidazolinonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl grouppropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinoneorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundcarboximidamidesecondary amineorganic oxygen compound2-imidazolineimidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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