| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:48:49 UTC |
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| Update Date | 2025-03-21 21:58:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00458829 |
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| Frequency | 3.8 |
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| Structure | |
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| Chemical Formula | C4H7NO |
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| Molecular Mass | 85.0528 |
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| SMILES | CN=CC(C)=O |
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| InChI Key | SPZUUELXBLTYDD-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 | ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aldimineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketonealdimineorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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